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

InChI

InChI=1S/C20H34O4/c1-5-7-8-11-14-23-19(21)16-12-9-10-13-17(16)20(22)24-18(6-2)15(3)4/h9-10,15-18H,5-8,11-14H2,1-4H3

InChI Key

RFZKOYQLSBPIEQ-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

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

Molecular Weight¹

338.48

• 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°	-308.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-864.53	kJ/mol	Joback Calculated Property
ΔfusH°	40.21	kJ/mol	Joback Calculated Property
ΔvapH°	78.06	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	4.670		Crippen Calculated Property
McVol	292.380	ml/mol	McGowan Calculated Property
Pc	1255.70	kPa	Joback Calculated Property
Inp	[2237.00; 2237.00]
Inp	2237.00		NIST
Inp	2237.00		NIST
Tboil	822.74	K	Joback Calculated Property
Tc	1022.27	K	Joback Calculated Property
Tfus	433.38	K	Joback Calculated Property
Vc	1.109	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[942.60; 1035.78]	J/mol×K	[822.74; 1022.27]
Cp,gas	942.60	J/mol×K	822.74	Joback Calculated Property
Cp,gas	961.44	J/mol×K	856.00	Joback Calculated Property
Cp,gas	978.93	J/mol×K	889.25	Joback Calculated Property
Cp,gas	995.09	J/mol×K	922.51	Joback Calculated Property
Cp,gas	1009.94	J/mol×K	955.76	Joback Calculated Property
Cp,gas	1023.50	J/mol×K	989.02	Joback Calculated Property
Cp,gas	1035.78	J/mol×K	1022.27	Joback Calculated Property
η	[0.0000640; 0.0013422]	Pa×s	[433.38; 822.74]
η	0.0013422	Pa×s	433.38	Joback Calculated Property
η	0.0005809	Pa×s	498.27	Joback Calculated Property
η	0.0003050	Pa×s	563.17	Joback Calculated Property
η	0.0001829	Pa×s	628.06	Joback Calculated Property
η	0.0001207	Pa×s	692.95	Joback Calculated Property
η	0.0000855	Pa×s	757.85	Joback Calculated Property
η	0.0000640	Pa×s	822.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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