Chemical Properties of Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester

InChI

InChI=1S/C12H19NO2/c1-3-15-11(14)10(9-13)12(2)7-5-4-6-8-12/h10H,3-8H2,1-2H3

InChI Key

ROHCCJIABRKISQ-UHFFFAOYSA-N

Formula

C12H19NO2

SMILES

CCOC(=O)C(C#N)C1(C)CCCCC1

Molecular Weight¹

209.28

Other Names

• Acetic acid, 2-cyano-2-(1-methylcyclohexyl), ethyl ester

• 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).
• 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.
• 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°	-34.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-306.65	kJ/mol	Joback Calculated Property
ΔfusH°	13.14	kJ/mol	Joback Calculated Property
ΔvapH°	60.83	kJ/mol	Joback Calculated Property
log10WS	-2.99		Crippen Calculated Property
logPoct/wat	2.660		Crippen Calculated Property
McVol	177.900	ml/mol	McGowan Calculated Property
Pc	2287.14	kPa	Joback Calculated Property
Inp	[1489.00; 1508.00]
Inp	1489.00		NIST
Inp	1498.00		NIST
Inp	1508.00		NIST
Inp	1489.00		NIST
I	[2005.00; 2095.00]
I	2005.00		NIST
I	2050.00		NIST
I	2095.00		NIST
I	2005.00		NIST
Tboil	671.68	K	Joback Calculated Property
Tc	896.77	K	Joback Calculated Property
Tfus	378.43	K	Joback Calculated Property
Vc	0.682	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.98; 579.79]	J/mol×K	[671.68; 896.77]
Cp,gas	491.98	J/mol×K	671.68	Joback Calculated Property
Cp,gas	508.34	J/mol×K	709.20	Joback Calculated Property
Cp,gas	523.86	J/mol×K	746.71	Joback Calculated Property
Cp,gas	538.64	J/mol×K	784.23	Joback Calculated Property
Cp,gas	552.82	J/mol×K	821.74	Joback Calculated Property
Cp,gas	566.49	J/mol×K	859.26	Joback Calculated Property
Cp,gas	579.79	J/mol×K	896.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester.

Sources

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

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