Chemical Properties of Carbamic acid, methylphenyl-, ethyl ester (CAS 2621-79-6)

InChI

InChI=1S/C10H13NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3

InChI Key

QHGZFCAIXRVHID-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

CCOC(=O)N(C)c1ccccc1

Molecular Weight¹

179.22

CAS

2621-79-6

Other Names

• Carbanilic acid, N-methyl-, ethyl ester
• Ethyl methylphenylcarbamate
• Ethyl N-methyl-N-phenylcarbamate
• N-Methylcarbanilic acid, ethyl ester
• N-Methyl-N-phenylurethane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5434		Relay (1.0) Calculated Property
ΔcH°liquid	[-5416.02; -5409.10]	kJ/mol
ΔcH°liquid	-5409.10 ± 5.00	kJ/mol	NIST
ΔcH°liquid	-5416.02	kJ/mol	NIST
ΔcH°solid	-5628.30	kJ/mol	NIST
ΔfH°gas	-307.13	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-384.00; -377.00]	kJ/mol
ΔfH°liquid	-384.00 ± 5.00	kJ/mol	NIST
ΔfH°liquid	-377.00	kJ/mol	NIST
ΔfH°solid	-165.00	kJ/mol	NIST
ΔfusH°	23.09	kJ/mol	Joback Calculated Property
ΔvapH°	74.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-1.77		Relay (1.0) Calculated Property
logPoct/wat	2.279		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Pc	2940.89	kPa	Joback Calculated Property
Tboil	543.82	K	Relay (1.0) Calculated Property
Tc	742.48	K	Relay (1.0) Calculated Property
Tfus	265.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.21; 462.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.53890e+01
Coefficient B			9.44040e-01
Coefficient C			-5.69400e-04
Coefficient D			1.13600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.21	J/mol×K	273.00	Calculated Property
Cp,gas	242.36	J/mol×K	353.78	Calculated Property
Cp,gas	286.65	J/mol×K	434.56	Calculated Property
Cp,gas	325.44	J/mol×K	515.33	Calculated Property
Cp,gas	359.09	J/mol×K	596.11	Calculated Property
Cp,gas	387.97	J/mol×K	676.89	Calculated Property
Cp,gas	412.42	J/mol×K	757.67	Calculated Property
Cp,gas	432.81	J/mol×K	838.44	Calculated Property
Cp,gas	449.50	J/mol×K	919.22	Calculated Property
Cp,gas	462.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, methylphenyl-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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