Chemical Properties of Carbamic acid, phenyl-, ethyl ester (CAS 101-99-5)

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)

InChI Key

LBKPGNUOUPTQKA-UHFFFAOYSA-N

Formula

C9H11NO2

SMILES

CCOC(=O)Nc1ccccc1

Molecular Weight¹

165.19

CAS

101-99-5

Other Names

• Carbanilic acid, ethyl ester
• Ethyl carbanilate
• Ethyl phenylcarbamate
• Ethyl N-phenylcarbamate
• Ethyl N-phenylurethan
• Ethyl N-phenylurethane
• Euphorin
• EPC (The plant regulator)
• Keimstop
• N-(Ethoxycarbonyl)aniline
• N-Phenylurethane
• Phenylurethan
• Phenylurethane
• Phenylethyl carbamate
• Urethane, phenyl-
• EPC
• Ethylester kyseliny karbanilove
• Urethan, phenyl-
• Ethyl ester of phenylcarbamic acid
• Ethyl N-phenylcarbanilate
• N-Phenyl ethylcarbamate
• Phenylcarbamic acid ethyl ester
• Carbamic acid, N-phenyl-, ethyl ester
• Ethanol, carbanilate
• NSC 3245

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• 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.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-7.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-183.89	kJ/mol	Joback Calculated Property
ΔfusH°	20.99	kJ/mol	Joback Calculated Property
ΔvapH°	53.50	kJ/mol	Joback Calculated Property
log10WS	-2.16		Crippen Calculated Property
logPoct/wat	2.255		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3493.01	kPa	Joback Calculated Property
Inp	[1381.00; 1418.00]
Inp	1391.00		NIST
Inp	1391.00		NIST
Inp	1392.00		NIST
Inp	1396.00		NIST
Inp	1404.00		NIST
Inp	1381.00		NIST
Inp	1401.00		NIST
Inp	Outlier 1418.00		NIST
Inp	1391.00		NIST
I	[2031.00; 2031.00]
I	2031.00		NIST
I	2031.00		NIST
Tboil	558.46	K	Joback Calculated Property
Tc	774.81	K	Joback Calculated Property
Tfus	326.00 ± 1.00	K	NIST
Vc	0.490	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.77; 367.10]	J/mol×K	[558.46; 774.81]
Cp,gas	301.77	J/mol×K	558.46	Joback Calculated Property
Cp,gas	314.51	J/mol×K	594.52	Joback Calculated Property
Cp,gas	326.48	J/mol×K	630.58	Joback Calculated Property
Cp,gas	337.71	J/mol×K	666.64	Joback Calculated Property
Cp,gas	348.21	J/mol×K	702.69	Joback Calculated Property
Cp,gas	358.00	J/mol×K	738.75	Joback Calculated Property
Cp,gas	367.10	J/mol×K	774.81	Joback Calculated Property
Cp,solid	227.20	J/mol×K	298.00	NIST
ΔfusH	[16.27; 16.27]	kJ/mol	[326.00; 326.00]
ΔfusH	16.27	kJ/mol	326.00	NIST
ΔfusH	16.27	kJ/mol	326.00	NIST
ΔfusH	16.27	kJ/mol	326.00	NIST
ΔvapH	84.20	kJ/mol	445.00	NIST
ΔfusS	49.90	J/mol×K	326.00	NIST

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.