Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl octyl ester

InChI

InChI=1S/C24H42O4/c1-4-7-9-10-11-14-18-27-23(25)21-16-12-13-17-22(21)24(26)28-19-20(6-3)15-8-5-2/h12-13,20-22H,4-11,14-19H2,1-3H3

InChI Key

AGLFVKJEDRJRQO-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

CCCCCCCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

Molecular Weight¹

394.59

• 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°	-272.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-941.81	kJ/mol	Joback Calculated Property
ΔfusH°	54.09	kJ/mol	Joback Calculated Property
ΔvapH°	87.35	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	6.232		Crippen Calculated Property
McVol	348.740	ml/mol	McGowan Calculated Property
Pc	968.07	kPa	Joback Calculated Property
Inp	[2590.00; 2590.00]
Inp	2590.00		NIST
Inp	2590.00		NIST
Tboil	914.70	K	Joback Calculated Property
Tc	1120.82	K	Joback Calculated Property
Tfus	493.46	K	Joback Calculated Property
Vc	1.339	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1189.06; 1280.61]	J/mol×K	[914.70; 1120.82]
Cp,gas	1189.06	J/mol×K	914.70	Joback Calculated Property
Cp,gas	1208.12	J/mol×K	949.05	Joback Calculated Property
Cp,gas	1225.62	J/mol×K	983.41	Joback Calculated Property
Cp,gas	1241.59	J/mol×K	1017.76	Joback Calculated Property
Cp,gas	1256.05	J/mol×K	1052.11	Joback Calculated Property
Cp,gas	1269.05	J/mol×K	1086.47	Joback Calculated Property
Cp,gas	1280.61	J/mol×K	1120.82	Joback Calculated Property
η	[0.0000397; 0.0007330]	Pa×s	[493.46; 914.70]
η	0.0007330	Pa×s	493.46	Joback Calculated Property
η	0.0003330	Pa×s	563.67	Joback Calculated Property
η	0.0001802	Pa×s	633.87	Joback Calculated Property
η	0.0001102	Pa×s	704.08	Joback Calculated Property
η	0.0000737	Pa×s	774.29	Joback Calculated Property
η	0.0000527	Pa×s	844.49	Joback Calculated Property
η	0.0000397	Pa×s	914.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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