Chemical Properties of Carbetamide (CAS 16118-49-3)

InChI

InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)

InChI Key

AMRQXHFXNZFDCH-UHFFFAOYSA-N

Formula

C12H16N2O3

SMILES

CCNC(=O)C(C)OC(=O)Nc1ccccc1

Molecular Weight¹

236.27

CAS

16118-49-3

Other Names

• (Phenylcarbamoyloxy)-2-N-ethylpropionamide
• (R)-N-Ethyl-2-(((phenylamino)carbonyl)oxy)propanamide
• 1-(Ethylcarbamoyl)ethyl phenylcarbamate, (R)-
• 11,561 RP
• 11561RP
• 2-Phenyl-carbamoyloxy-N-aethyl-propionamid
• Carbanilic acid, (1-ethylcarbamoyl)ethyl ester, D-(-)-
• Carbetamex
• Carbetamid
• Carbethamide
• D-(-)-1-(Ethylcarbamoyl)ethyl phenylcarbamate
• D-N-Ethylacetamide carbanilate
• D-N-Ethyllactamide carbanilate
• Lactamide, N-ethyl-, carbanilate (ester), D-
• Legurame
• Legurame PM
• N-Phenyl-1-(ethylcarbamoyl-1)-ethylcarbamate, D isomer
• Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (R)-
• RP 11561
• d-N-Ethyllactamide carbanilate (ester)

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7094		Relay (1.0) Calculated Property
ΔfG°	-23.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-521.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.94	kJ/mol	Joback Calculated Property
ΔvapH°	90.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	[-1.83; -1.83]
log10WS	-1.83		Aq. Solubility Prediction
log10WS	-1.83		Estimated Solubility
logPoct/wat	1.760		Crippen Calculated Property
McVol	185.150	ml/mol	McGowan Calculated Property
Pc	2781.78	kPa	Joback Calculated Property
Tboil	562.67	K	Relay (1.0) Calculated Property
Tc	841.44	K	Relay (1.0) Calculated Property
Tfus	382.87	K	Relay (1.0) Calculated Property
Vc	0.659	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.90; 579.54]	J/mol×K	[730.70; 946.62]
Cp,gas	514.90	J/mol×K	730.70	Joback Calculated Property
Cp,gas	527.98	J/mol×K	766.69	Joback Calculated Property
Cp,gas	540.10	J/mol×K	802.67	Joback Calculated Property
Cp,gas	551.29	J/mol×K	838.66	Joback Calculated Property
Cp,gas	561.57	J/mol×K	874.65	Joback Calculated Property
Cp,gas	570.98	J/mol×K	910.63	Joback Calculated Property
Cp,gas	579.54	J/mol×K	946.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbetamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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