Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-methylpent-3-yl ester

InChI

InChI=1S/C26H46O4/c1-5-7-8-9-10-11-12-13-14-17-20-29-25(27)22-18-15-16-19-23(22)26(28)30-24(6-2)21(3)4/h15-16,21-24H,5-14,17-20H2,1-4H3

InChI Key

GYYQYKSPVQHJTI-UHFFFAOYSA-N

Formula

C26H46O4

SMILES

CCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C

Molecular Weight¹

422.64

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.9892		Relay (1.0) Calculated Property
ΔfG°	-257.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1046.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.75	kJ/mol	Joback Calculated Property
ΔvapH°	113.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-6.56		Relay (1.0) Calculated Property
logPoct/wat	7.011		Crippen Calculated Property
McVol	376.920	ml/mol	McGowan Calculated Property
Pc	866.07	kPa	Joback Calculated Property
Inp	[2832.00; 2832.00]
Inp	2832.00		NIST
Inp	2832.00		NIST
Tboil	657.04	K	Relay (1.0) Calculated Property
Tc	856.42	K	Relay (1.0) Calculated Property
Tfus	296.69	K	Relay (1.0) Calculated Property
Vc	1.368	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1315.86; 1405.97]	J/mol×K	[960.02; 1175.36]
Cp,gas	1315.86	J/mol×K	960.02	Joback Calculated Property
Cp,gas	1335.16	J/mol×K	995.91	Joback Calculated Property
Cp,gas	1352.69	J/mol×K	1031.80	Joback Calculated Property
Cp,gas	1368.49	J/mol×K	1067.69	Joback Calculated Property
Cp,gas	1382.61	J/mol×K	1103.58	Joback Calculated Property
Cp,gas	1395.09	J/mol×K	1139.47	Joback Calculated Property
Cp,gas	1405.97	J/mol×K	1175.36	Joback Calculated Property
η	[0.0000269; 0.0006585]	Pa×s	[501.00; 960.02]
η	0.0006585	Pa×s	501.00	Joback Calculated Property
η	0.0002714	Pa×s	577.50	Joback Calculated Property
η	0.0001377	Pa×s	654.01	Joback Calculated Property
η	0.0000805	Pa×s	730.51	Joback Calculated Property
η	0.0000521	Pa×s	807.01	Joback Calculated Property
η	0.0000364	Pa×s	883.52	Joback Calculated Property
η	0.0000269	Pa×s	960.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-methylpent-3-yl ester.

Sources

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

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