Carbamic acid, methyl ester (CAS 598-55-0)

InChI

InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)

InChI Key

GTCAXTIRRLKXRU-UHFFFAOYSA-N

Formula

C2H5NO2

SMILES

COC(N)=O

Molecular Weight¹

75.07

CAS

598-55-0

Other Names

Methylester kyseliny karbaminove
Methylkarbamat
Methylurethan
Methylurethane
NCI-C55594
Urethylane
methyl carbamate
o-methyl carbamate

ω : Acentric Factor.
C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
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	0.4998		Relay (1.0) Calculated Property
Δ_fH°_gas	-470.95	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	10.50	kJ/mol	Joback Calculated Property
Δ_vapH°	43.81	kJ/mol	Relay (1.0) Calculated Property
IE	10.31	eV	Relay (1.0) Calculated Property
log₁₀WS	0.97		Aq. Solubility Prediction
logP_oct/wat	-0.288		Crippen Calculated Property
McVol	56.460	ml/mol	McGowan Calculated Property
P_c	5503.26	kPa	Joback Calculated Property
T_boil	394.35	K	Relay (1.0) Calculated Property
T_c	585.01	K	Relay (1.0) Calculated Property
T_fus	327.65	K	Aq. Solubility Prediction
V_c	0.215	m³/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[101.97; 130.29]	J/mol×K	[376.11; 569.87]

C_p,gas	101.97	J/mol×K	376.11	Joback Calculated Property
C_p,gas	107.11	J/mol×K	408.40	Joback Calculated Property
C_p,gas	112.08	J/mol×K	440.70	Joback Calculated Property
C_p,gas	116.90	J/mol×K	472.99	Joback Calculated Property
C_p,gas	121.54	J/mol×K	505.28	Joback Calculated Property
C_p,gas	126.01	J/mol×K	537.58	Joback Calculated Property
C_p,gas	130.29	J/mol×K	569.87	Joback Calculated Property
Δ_vapH	73.60	kJ/mol	298.15	The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination
P_vap	[1.31; 13.99]	kPa	[341.45; 393.75]

P_vap	1.31	kPa	341.45	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	1.91	kPa	350.90	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	2.50	kPa	356.06	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	3.55	kPa	360.75	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	4.19	kPa	364.43	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	4.48	kPa	367.00	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	5.42	kPa	371.70	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	6.23	kPa	373.85	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	7.14	kPa	377.23	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	9.83	kPa	384.90	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	10.96	kPa	387.17	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	12.39	kPa	390.50	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
P_vap	13.99	kPa	393.75	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures

Similar Compounds

Carbamic acid, (hydroxymethyl)-,methyl ester.

Find more compounds similar to Carbamic acid, methyl ester.

Mixtures

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

Sources

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Chemical Properties of Carbamic acid, methyl ester (CAS 598-55-0)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources