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

• 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	0.7621		Relay (1.0) Calculated Property
ΔfG°	-308.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-924.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.21	kJ/mol	Joback Calculated Property
ΔvapH°	91.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-4.71		Relay (1.0) 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	613.31	K	Relay (1.0) Calculated Property
Tc	804.64	K	Relay (1.0) Calculated Property
Tfus	277.33	K	Relay (1.0) Calculated Property
Vc	1.044	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.