Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(isohexyl) ester

InChI

InChI=1S/C20H34O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,15-18H,7-14H2,1-4H3

InChI Key

PEVISEDIXJXZQL-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CC(C)CCCOC(=O)C1CC=CCC1C(=O)OCCCC(C)C

Molecular Weight¹

338.48

• 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	0.7785		Relay (... Calculated Property
ΔfG°	-308.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-941.12	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.21	kJ/mol	Joback Calculated Property
ΔvapH°	91.80	kJ/mol	Relay (... Calculated Property
IE	9.21	eV	Relay (... Calculated Property
log10WS	-4.97		Relay (... Calculated Property
logPoct/wat	4.528		Crippen Calculated Property
McVol	292.380	ml/mol	McGowan Calculated Property
Pc	1255.70	kPa	Joback Calculated Property
Inp	[2213.00; 2213.00]
Inp	2213.00		NIST
Inp	2213.00		NIST
Tboil	613.00	K	Relay (... Calculated Property
Tc	801.93	K	Relay (... Calculated Property
Tfus	297.73	K	Relay (... Calculated Property
Vc	1.053	m3/kmol	Relay (... 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, di(isohexyl) ester.

Sources

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

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