Chemical Properties of Cyclohexanecarboxylic acid, 4-methoxy-, oct-3-en-2-yl ester

InChI

InChI=1S/C16H28O3/c1-4-5-6-7-8-13(2)19-16(17)14-9-11-15(18-3)12-10-14/h7-8,13-15H,4-6,9-12H2,1-3H3/b8-7+

InChI Key

HFKFWRJBXAKLLU-BQYQJAHWSA-N

Formula

C16H28O3

SMILES

CCCCC=CC(C)OC(=O)C1CCC(OC)CC1

Molecular Weight¹

268.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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°	-160.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-604.67	kJ/mol	Joback Calculated Property
ΔfusH°	30.76	kJ/mol	Joback Calculated Property
ΔvapH°	62.47	kJ/mol	Joback Calculated Property
log10WS	-4.20		Crippen Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	234.450	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[1837.00; 1837.00]
Inp	1837.00		NIST
Inp	1837.00		NIST
Tboil	682.79	K	Joback Calculated Property
Tc	881.41	K	Joback Calculated Property
Tfus	347.53	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.51; 787.98]	J/mol×K	[682.79; 881.41]
Cp,gas	682.51	J/mol×K	682.79	Joback Calculated Property
Cp,gas	702.91	J/mol×K	715.89	Joback Calculated Property
Cp,gas	722.16	J/mol×K	749.00	Joback Calculated Property
Cp,gas	740.27	J/mol×K	782.10	Joback Calculated Property
Cp,gas	757.26	J/mol×K	815.20	Joback Calculated Property
Cp,gas	773.16	J/mol×K	848.31	Joback Calculated Property
Cp,gas	787.98	J/mol×K	881.41	Joback Calculated Property
η	[0.0000958; 0.0021380]	Pa×s	[347.53; 682.79]
η	0.0021380	Pa×s	347.53	Joback Calculated Property
η	0.0008903	Pa×s	403.41	Joback Calculated Property
η	0.0004588	Pa×s	459.28	Joback Calculated Property
η	0.0002730	Pa×s	515.16	Joback Calculated Property
η	0.0001799	Pa×s	571.04	Joback Calculated Property
η	0.0001276	Pa×s	626.91	Joback Calculated Property
η	0.0000958	Pa×s	682.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, oct-3-en-2-yl ester.

Sources

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

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