Chemical Properties of Carbamic acid, phenyl-, propyl ester (CAS 5532-90-1)

InChI

InChI=1S/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)

InChI Key

QDZXCXBFZLLQFT-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

CCCOC(O)=Nc1ccccc1

Molecular Weight¹

179.22

CAS

5532-90-1

Other Names

• Carbanilic acid, propyl ester
• Propyl carbanilate
• Propyl phenylcarbamate
• Propyl phenylurethane
• Propyl N-phenylcarbamate
• Carbanilic acid, n-propyl ester

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-225.22	kJ/mol	Joback Calculated Property
ΔvapH°	62.61	kJ/mol	Joback Calculated Property
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.659		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Pc	2853.57	kPa	Joback Calculated Property
Inp	[1483.00; 1491.00]
Inp	1491.00		NIST
Inp	1483.00		NIST
I	2113.00		NIST
Tboil	646.04	K	Joback Calculated Property
Tc	854.89	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, phenyl-, propyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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