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

InChI

InChI=1S/C22H38O4/c1-5-7-8-9-10-13-16-25-21(23)18-14-11-12-15-19(18)22(24)26-20(6-2)17(3)4/h11-12,17-20H,5-10,13-16H2,1-4H3

InChI Key

KHDRGOLRFVGAOF-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

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

Molecular Weight¹

366.53

• 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	0.8404		Relay (1.0) Calculated Property
ΔfG°	-291.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-965.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.39	kJ/mol	Joback Calculated Property
ΔvapH°	98.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	5.450		Crippen Calculated Property
McVol	320.560	ml/mol	McGowan Calculated Property
Pc	1100.81	kPa	Joback Calculated Property
Inp	[2433.00; 2433.00]
Inp	2433.00		NIST
Inp	2433.00		NIST
Tboil	629.03	K	Relay (1.0) Calculated Property
Tc	823.49	K	Relay (1.0) Calculated Property
Tfus	282.34	K	Relay (1.0) Calculated Property
Vc	1.152	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1064.89; 1157.31]	J/mol×K	[868.50; 1070.02]
Cp,gas	1064.89	J/mol×K	868.50	Joback Calculated Property
Cp,gas	1083.83	J/mol×K	902.09	Joback Calculated Property
Cp,gas	1101.33	J/mol×K	935.67	Joback Calculated Property
Cp,gas	1117.40	J/mol×K	969.26	Joback Calculated Property
Cp,gas	1132.07	J/mol×K	1002.85	Joback Calculated Property
Cp,gas	1145.36	J/mol×K	1036.44	Joback Calculated Property
Cp,gas	1157.31	J/mol×K	1070.02	Joback Calculated Property
η	[0.0000484; 0.0010737]	Pa×s	[455.92; 868.50]
η	0.0010737	Pa×s	455.92	Joback Calculated Property
η	0.0004565	Pa×s	524.68	Joback Calculated Property
η	0.0002367	Pa×s	593.45	Joback Calculated Property
η	0.0001406	Pa×s	662.21	Joback Calculated Property
η	0.0000922	Pa×s	730.97	Joback Calculated Property
η	0.0000649	Pa×s	799.74	Joback Calculated Property
η	0.0000484	Pa×s	868.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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