Home Page Flashcards tri-n-dodecylamine C36H75N structure - Flashcards

tri-n-dodecylamine C36H75N structure – Flashcards

Flashcard maker : Rae Jordan

Contents

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

Molecular Formula	C₃₆H₇₅N
Average mass	521.987 Da
Density	0.8±0.1 g/cm³
Boiling Point	544.6±0.0 °C at 760 mmHg
Flash Point	256.6±18.4 °C
Molar Refractivity	172.6±0.3 cm³
Polarizability	68.4±0.5 10^-24cm³
Surface Tension	31.3±3.0 dyne/cm
Molar Volume	630.0±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon
Predicted – Mcule

Experimental Physico-chemical Properties

Experimental Melting Point:

14-16 °C Alfa Aesar

15 °C Jean-Claude Bradley Open Melting Point Dataset 8665

14-16 °C Alfa Aesar L04479

15.7 °C FooDB FDB016967

Experimental Boiling Point:

220-228 deg C / 0.03 mmHg (664.7229-679.3176 °C / 760 mmHg)
Alfa Aesar

220-228 °C / 0.03 mmHg (664.7229-679.3176 °C / 760 mmHg)
Alfa Aesar L04479

0.03 °C / 220 mmHg (33.468 °C / 760 mmHg)
FooDB FDB016967

Experimental Flash Point:

190 °C Alfa Aesar

190 °C Alfa Aesar

190 °F (87.7778 °C)
Alfa Aesar L04479

190 °C LabNetwork LN00199609
Experimental Gravity:

20 g/mL Merck Millipore 3202

20 g/l Merck Millipore 3202, 821160

0.823 g/mL Alfa Aesar L04479
Experimental Refraction Index:

1.4578 Alfa Aesar L04479

25 FooDB FDB016967

Miscellaneous

Safety:

26-37 Alfa Aesar L04479

36/38 Alfa Aesar L04479

H315-H319 Alfa Aesar L04479

IRRITANT Alfa Aesar L04479

P280-P305+P351+P338-P362-P321-P332+P313-P337+P313 Alfa Aesar L04479

Warning Alfa Aesar L04479

WARNING: Irritates skin and eyes Alfa Aesar L04479

Gas Chromatography
- Retention Index (Kovats):
  
  3649 (estimated with error: 83) NIST Spectra mainlib_342373, replib_161745

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

Density:	0.8±0.1 g/cm³
Boiling Point:	544.6±0.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization:	82.3±3.0 kJ/mol
Flash Point:	256.6±18.4 °C
Index of Refraction:	1.460
Molar Refractivity:	172.6±0.3 cm³
#H bond acceptors:	1
#H bond donors:	0
#Freely Rotating Bonds:	33
#Rule of 5 Violations:	2

ACD/LogP:	17.60
ACD/LogD (pH 5.5):	13.78
ACD/BCF (pH 5.5):	1000000.00
ACD/KOC (pH 5.5):	10000000.00
ACD/LogD (pH 7.4):	14.50
ACD/BCF (pH 7.4):	1000000.00
ACD/KOC (pH 7.4):	10000000.00
Polar Surface Area:	3 Å²
Polarizability:	68.4±0.5 10^-24cm³
Surface Tension:	31.3±3.0 dyne/cm
Molar Volume:	630.0±3.0 cm³

Click to predict properties on the Chemicalize site

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