Chemical Properties of 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.

Physical Properties

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
Cp,gas	[102.98; 129.95]	J/mol×K	[393.98; 592.23]
Cp,gas	102.98	J/mol×K	393.98	Joback Calculated Property
Cp,gas	107.78	J/mol×K	427.02	Joback Calculated Property
Cp,gas	112.47	J/mol×K	460.06	Joback Calculated Property
Cp,gas	117.04	J/mol×K	493.10	Joback Calculated Property
Cp,gas	121.48	J/mol×K	526.14	Joback Calculated Property
Cp,gas	125.79	J/mol×K	559.19	Joback Calculated Property
Cp,gas	129.95	J/mol×K	592.23	Joback Calculated Property
ΔvapH	73.60	kJ/mol	298.15	The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination
Pvap	[1.31; 13.99]	kPa	[341.45; 393.75]
Pvap	1.31	kPa	341.45	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	1.91	kPa	350.90	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	2.50	kPa	356.06	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	3.55	kPa	360.75	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	4.19	kPa	364.43	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	4.48	kPa	367.00	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	5.42	kPa	371.70	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	6.23	kPa	373.85	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	7.14	kPa	377.23	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	9.83	kPa	384.90	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	10.96	kPa	387.17	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	12.39	kPa	390.50	Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
Pvap	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

Find more compounds similar to Carbamic acid, methyl ester.

Mixtures

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination
• Determination and Modeling of Isobaric Vapor Liquid Equilibria for the Methylcarbamate + Methyl-N-phenyl Carbamate System at Different Pressures
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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