Carbamic acid, phenyl-, methyl ester (CAS 2603-10-3)

InChI

InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

InChI Key

IAGUPODHENSJEZ-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

COC(=O)Nc1ccccc1

Molecular Weight¹

151.16

CAS

2603-10-3

Other Names

Carbanilic acid, methyl ester
Methyl N-phenylurethane
Methyl carbanilate
Methyl phenylurethane
N-Phenylcarbamic acid methyl ester
methyl N-phenylcarbamate
methyl phenylcarbamate

ω : Acentric Factor.
Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
C_p,gas : Ideal gas heat capacity (J/mol×K).
C_p,solid : Solid phase heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
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).
P_vap : Vapor pressure (kPa).
I_np : Non-polar retention indices.
I : Polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5286		Relay (1.0) Calculated Property
Δ_cH°_solid	-4248.00 ± 2.00	kJ/mol	NIST
Δ_fG°	-15.64	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-284.92	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	18.40	kJ/mol	Joback Calculated Property
Δ_vapH°	70.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.04		Relay (1.0) Calculated Property
logP_oct/wat	1.865		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
P_c	3925.85	kPa	Joback Calculated Property
I_np	[1313.00; 1340.00]
I_np	1315.00		NIST
I_np	1320.00		NIST
I_np	1317.00		NIST
I_np	1336.00		NIST
I_np	1313.00		NIST
I_np	1330.00		NIST
I_np	1340.00		NIST
I	[1995.00; 1995.00]
I	1995.00		NIST
I	1995.00		NIST
T_boil	519.45	K	Relay (1.0) Calculated Property
T_c	762.67	K	Relay (1.0) Calculated Property
T_fus	325.00 ± 1.00	K	NIST
V_c	0.417	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[257.09; 317.41]	J/mol×K	[535.58; 755.73]

C_p,gas	257.09	J/mol×K	535.58	Joback Calculated Property
C_p,gas	268.87	J/mol×K	572.27	Joback Calculated Property
C_p,gas	279.94	J/mol×K	608.96	Joback Calculated Property
C_p,gas	290.31	J/mol×K	645.65	Joback Calculated Property
C_p,gas	300.01	J/mol×K	682.34	Joback Calculated Property
C_p,gas	309.03	J/mol×K	719.03	Joback Calculated Property
C_p,gas	317.41	J/mol×K	755.73	Joback Calculated Property
C_p,solid	203.30	J/mol×K	298.00	NIST
Δ_fusH	[14.55; 14.56]	kJ/mol	[325.00; 325.00]
Δ_fusH	14.55	kJ/mol	325.00	NIST
Δ_fusH	14.56	kJ/mol	325.00	NIST
Δ_fusH	14.56	kJ/mol	325.00	NIST
P_vap	[0.21; 2.13]	kPa	[372.50; 418.45]

P_vap	0.21	kPa	372.50	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.22	kPa	374.46	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.25	kPa	376.90	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.31	kPa	379.05	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.33	kPa	380.65	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.39	kPa	383.31	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.45	kPa	385.85	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.50	kPa	387.85	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.56	kPa	390.35	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.59	kPa	391.76	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.65	kPa	394.05	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.72	kPa	395.80	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.79	kPa	397.05	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.79	kPa	397.05	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.94	kPa	399.63	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	0.94	kPa	399.83	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	1.06	kPa	402.15	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	1.29	kPa	409.85	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	1.54	kPa	412.90	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	1.97	kPa	415.90	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	2.13	kPa	418.45	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Δ_fusS	44.80	J/mol×K	325.00	NIST

Similar Compounds

Carbamic acid, (4-chlorophenyl)-, methyl ester.

Carbamic acid, 3-chlorophenyl-, methyl ester.

P-phenylazo carbanilic acid, methyl ester.

Carbamic acid, phenyl-, 1-methylethyl ester.

Carbamic acid, 4-methylphenyl, methyl ester.

Carbamic acid, 4-bromophenyl-, ethyl ester.

P-methoxy carbanilic acid, methyl ester.

Carbamic acid, (4-chlorophenyl)-, ethyl ester.

Carbamic acid, 4-iodophenyl, ethyl ester.

Carbamic acid, (3-chlorophenyl)-, ethyl ester.

P-phenylazo carbanilic acid, ethyl ester.

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

Mixtures

Carbamic acid, phenyl-, methyl ester + Carbamic acid, methyl ester

Sources

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Chemical Properties of Carbamic acid, phenyl-, methyl ester (CAS 2603-10-3)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources