Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl pentyl ester

InChI

InChI=1S/C19H32O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h8-9,16-17H,3-7,10-15H2,1-2H3

InChI Key

KLVYOCASGORHKQ-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCCCCOC(=O)C1CC=CCC1C(=O)OCCCCC

Molecular Weight¹

324.45

• 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°	-312.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-833.33	kJ/mol	Joback Calculated Property
ΔfusH°	44.67	kJ/mol	Joback Calculated Property
ΔvapH°	76.61	kJ/mol	Joback Calculated Property
log10WS	-4.77		Crippen Calculated Property
logPoct/wat	4.426		Crippen Calculated Property
McVol	278.290	ml/mol	McGowan Calculated Property
Pc	1330.04	kPa	Joback Calculated Property
Inp	[2190.00; 2190.00]
Inp	2190.00		NIST
Inp	2190.00		NIST
Tboil	800.74	K	Joback Calculated Property
Tc	996.12	K	Joback Calculated Property
Tfus	452.11	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[881.50; 973.63]	J/mol×K	[800.74; 996.12]
Cp,gas	881.50	J/mol×K	800.74	Joback Calculated Property
Cp,gas	899.89	J/mol×K	833.30	Joback Calculated Property
Cp,gas	917.04	J/mol×K	865.87	Joback Calculated Property
Cp,gas	932.98	J/mol×K	898.43	Joback Calculated Property
Cp,gas	947.71	J/mol×K	931.00	Joback Calculated Property
Cp,gas	961.26	J/mol×K	963.56	Joback Calculated Property
Cp,gas	973.63	J/mol×K	996.12	Joback Calculated Property
η	[0.0000869; 0.0010801]	Pa×s	[452.11; 800.74]
η	0.0010801	Pa×s	452.11	Joback Calculated Property
η	0.0005587	Pa×s	510.22	Joback Calculated Property
η	0.0003307	Pa×s	568.32	Joback Calculated Property
η	0.0002158	Pa×s	626.42	Joback Calculated Property
η	0.0001513	Pa×s	684.53	Joback Calculated Property
η	0.0001122	Pa×s	742.63	Joback Calculated Property
η	0.0000869	Pa×s	800.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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