Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(cyclohex-3-enylmethyl) ester

InChI

InChI=1S/C22H32O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-3,5,17-20H,4,6-16H2

InChI Key

GNXFGKUPZDWEOT-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

O=C(OCC1CC=CCC1)C1CCCCC1C(=O)OCC1CC=CCC1

Molecular Weight¹

360.49

• 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°	-207.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.83	kJ/mol	Joback Calculated Property
ΔfusH°	37.33	kJ/mol	Joback Calculated Property
ΔvapH°	84.44	kJ/mol	Joback Calculated Property
log10WS	-5.18		Crippen Calculated Property
logPoct/wat	4.592		Crippen Calculated Property
McVol	294.540	ml/mol	McGowan Calculated Property
Pc	1497.67	kPa	Joback Calculated Property
Inp	[2753.00; 2753.00]
Inp	2753.00		NIST
Inp	2753.00		NIST
Tboil	907.64	K	Joback Calculated Property
Tc	1144.21	K	Joback Calculated Property
Tfus	501.44	K	Joback Calculated Property
Vc	1.085	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1027.33; 1110.20]	J/mol×K	[907.64; 1144.21]
Cp,gas	1027.33	J/mol×K	907.64	Joback Calculated Property
Cp,gas	1046.43	J/mol×K	947.07	Joback Calculated Property
Cp,gas	1063.35	J/mol×K	986.50	Joback Calculated Property
Cp,gas	1078.14	J/mol×K	1025.93	Joback Calculated Property
Cp,gas	1090.84	J/mol×K	1065.36	Joback Calculated Property
Cp,gas	1101.52	J/mol×K	1104.78	Joback Calculated Property
Cp,gas	1110.20	J/mol×K	1144.21	Joback Calculated Property
η	[0.0000673; 0.0010263]	Pa×s	[501.44; 907.64]
η	0.0010263	Pa×s	501.44	Joback Calculated Property
η	0.0004975	Pa×s	569.14	Joback Calculated Property
η	0.0002813	Pa×s	636.84	Joback Calculated Property
η	0.0001775	Pa×s	704.54	Joback Calculated Property
η	0.0001214	Pa×s	772.24	Joback Calculated Property
η	0.0000883	Pa×s	839.94	Joback Calculated Property
η	0.0000673	Pa×s	907.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(cyclohex-3-enylmethyl) ester.

Sources

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

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