Home Page Flashcards 1,3,5-Trifluorobenzene C6H3F3 structure - Flashcards

1,3,5-Trifluorobenzene C6H3F3 structure – Flashcards

Flashcard maker : Mary Moore

Contents

Experimental Melting Point:
Experimental Boiling Point:
Experimental Optical Rotation:
Experimental Flash Point:
Experimental Gravity:
Experimental Refraction Index:
Safety:
Retention Index (Kovats):

Molecular Formula	C₆H₃F₃
Average mass	132.083 Da
Density	1.3±0.1 g/cm³
Boiling Point	75.4±20.0 °C at 760 mmHg
Flash Point	-7.2±0.0 °C
Molar Refractivity	26.2±0.3 cm³
Polarizability	10.4±0.5 10^-24cm³
Surface Tension	25.2±3.0 dyne/cm
Molar Volume	102.1±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties

Experimental Melting Point:

-5.5 °C SynQuest

-7–4 °C Alfa Aesar

-6 °C Jean-Claude Bradley Open Melting Point Dataset 626

-5.5 °C Jean-Claude Bradley Open Melting Point Dataset 26878

-5.5 °C Matrix Scientific

-7–4 °C Alfa Aesar A15984

-5.5 °C Matrix Scientific 003676

-5.5 °C SynQuest 26592, 1600-3-07

-5.5 °C Oakwood
[001585]

Experimental Boiling Point:

75-76 °C Alfa Aesar

75-76 °C Matrix Scientific

75-76 °C Alfa Aesar A15984

75-76 °C Matrix Scientific 003676

75.5 °C SynQuest 26592, 1600-3-07

75-76 °C Oakwood
[001585]
Experimental Optical Rotation:

1.415 Matrix Scientific 003676
Experimental Flash Point:

-7 °C Alfa Aesar

-7 °C Alfa Aesar

-7 °F (-21.6667 °C)
Alfa Aesar A15984

-7 °C SynQuest 26592, 1600-3-07

-7 °C Oakwood
[001585]

Experimental Gravity:

26 g/mL SynQuest 1600-3-07

1.279 g/mL Alfa Aesar A15984

1.277 g/mL Matrix Scientific 003676

1.277 g/mL SynQuest 1600-3-07

1.277 g/mL Oakwood
[001585]

1.277 g/mL Fluorochem

1.277 g/l Fluorochem 001585

Experimental Refraction Index:

1.415 Alfa Aesar A15984

1.415 Matrix Scientific 003676

1.414 SynQuest 26592, 1600-3-07

Miscellaneous

Safety:

11-36/37/38 Alfa Aesar A15984

3 Alfa Aesar A15984

9-16-23-26-33-37 Alfa Aesar A15984

Danger Alfa Aesar A15984

Danger Biosynth W-106556

DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar A15984

Flammable JRD Fluorochemicals
[JRD-0247]

GHS02; GHS07 Biosynth W-106556

H225; H315; H319; H335 Biosynth W-106556

H225-H315-H319-H335 Alfa Aesar A15984

Highly Flammable/Irritant SynQuest 1600-3-07, 26592

IRRITANT, FLAMMABLE Matrix Scientific 003676

P210; P261; P305+P351+P338 Biosynth W-106556

P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A15984

R11,R18,R36/37/38 SynQuest 1600-3-07

R11,R36/37/38 SynQuest 26592

S16,S23,S24/25,S26,S33,S36/37/39,S45 SynQuest 1600-3-07

S16,S24/25,S36/37/39,S45 SynQuest 26592

Gas Chromatography
- Retention Index (Kovats):
  
  605 (estimated with error: 34) NIST Spectra mainlib_236228, replib_118861

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density:	1.3±0.1 g/cm³
Boiling Point:	75.4±20.0 °C at 760 mmHg
Vapour Pressure:	115.7±0.1 mmHg at 25°C
Enthalpy of Vaporization:	30.3±3.0 kJ/mol
Flash Point:	-7.2±0.0 °C
Index of Refraction:	1.428
Molar Refractivity:	26.2±0.3 cm³
#H bond acceptors:	0
#H bond donors:	0
#Freely Rotating Bonds:	0
#Rule of 5 Violations:	0

ACD/LogP:	2.49
ACD/LogD (pH 5.5):	2.33
ACD/BCF (pH 5.5):	34.44
ACD/KOC (pH 5.5):	438.41
ACD/LogD (pH 7.4):	2.33
ACD/BCF (pH 7.4):	34.44
ACD/KOC (pH 7.4):	438.41
Polar Surface Area:	0 Å²
Polarizability:	10.4±0.5 10^-24cm³
Surface Tension:	25.2±3.0 dyne/cm
Molar Volume:	102.1±3.0 cm³

Click to predict properties on the Chemicalize site

1,3,5-Trifluorobenzene C6H3F3 structure – Flashcards

Experimental Melting Point:

Experimental Boiling Point:

Experimental Optical Rotation:

Experimental Flash Point:

Experimental Gravity:

Experimental Refraction Index:

Safety:

Retention Index (Kovats):

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