Home Page Flashcards o-Phenetidine C8H11NO structure - Flashcards

o-Phenetidine C8H11NO structure – Flashcards

Flashcard maker : Richard Molina

Contents

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

Molecular Formula	C₈H₁₁NO
Average mass	137.179 Da
Density	1.0±0.1 g/cm³
Boiling Point	231.9±13.0 °C at 760 mmHg
Flash Point	80.6±0.0 °C
Molar Refractivity	41.8±0.3 cm³
Polarizability	16.6±0.5 10^-24cm³
Surface Tension	38.6±3.0 dyne/cm
Molar Volume	132.2±3.0 cm³

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

Experimental Physico-chemical Properties

Experimental Melting Point:

-4 °C Alfa Aesar L08016

-4 °C Jean-Claude Bradley Open Melting Point Dataset 8192

-4 °C Oakwood 044850

-20 °C Biosynth W-100189

-4 °C LabNetwork LN00126093
Experimental Boiling Point:

236-238 °C Alfa Aesar L08016

236-238 °C Oakwood 044850

232 °C Biosynth W-100189

236-238 °C LabNetwork LN00126093
Experimental LogP:

1.624 Vitas-M STL169148
Experimental Flash Point:

80 °C Alfa Aesar L08016

110 °C Biosynth W-100189

80 °C LabNetwork LN00126093

Experimental Gravity:

20 g/mL Merck Millipore 1697

20 g/l Merck Millipore 1697, 807000

1.051 g/mL Biosynth W-100189

1.05 g/mL Oakwood 044850

1.05 g/mL Fluorochem

110 g/mL Biosynth W-100189

1.05 g/l Fluorochem 044850

Experimental Refraction Index:

1.555 Alfa Aesar L08016

Miscellaneous

Safety:

Danger Biosynth W-100189

DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar L08016

GHS06; GHS08 Biosynth W-100189

H301; H311; H331; H373 Biosynth W-100189

IRRITANT Matrix Scientific 021811

Irritant SynQuest 4630-1-05

P261; P280; P301+P310; P311 Biosynth W-100189

TOXIC Alfa Aesar L08016

Gas Chromatography

Retention Index (Kovats):

1281 (estimated with error: 89) NIST Spectra mainlib_290843, replib_71230, replib_230133

Retention Index (Linear):

1206.8 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 94702; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) NIST Spectra nist ri

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

Density:	1.0±0.1 g/cm³
Boiling Point:	231.9±13.0 °C at 760 mmHg
Vapour Pressure:	0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization:	46.9±3.0 kJ/mol
Flash Point:	80.6±0.0 °C
Index of Refraction:	1.545
Molar Refractivity:	41.8±0.3 cm³
#H bond acceptors:	2
#H bond donors:	2
#Freely Rotating Bonds:	2
#Rule of 5 Violations:	0

ACD/LogP:	1.62
ACD/LogD (pH 5.5):	1.61
ACD/BCF (pH 5.5):	9.59
ACD/KOC (pH 5.5):	171.09
ACD/LogD (pH 7.4):	1.65
ACD/BCF (pH 7.4):	10.49
ACD/KOC (pH 7.4):	187.15
Polar Surface Area:	35 Å²
Polarizability:	16.6±0.5 10^-24cm³
Surface Tension:	38.6±3.0 dyne/cm
Molar Volume:	132.2±3.0 cm³

Click to predict properties on the Chemicalize site

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o-Phenetidine C8H11NO structure – Flashcards

Experimental Melting Point:

Experimental Boiling Point:

Experimental LogP:

Experimental Flash Point:

Experimental Gravity:

Experimental Refraction Index:

Safety:

Retention Index (Kovats):

Retention Index (Linear):

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