Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl isohexyl ester

InChI

InChI=1S/C22H38O4/c1-15(2)8-7-11-25-21(23)19-9-5-6-10-20(19)22(24)26-18-13-16(3)12-17(4)14-18/h15-20H,5-14H2,1-4H3

InChI Key

NJNRLUXBESLGST-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OC1CC(C)CC(C)C1

Molecular Weight¹

366.53

• 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°	-310.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-944.67	kJ/mol	Joback Calculated Property
ΔfusH°	41.67	kJ/mol	Joback Calculated Property
ΔvapH°	82.42	kJ/mol	Joback Calculated Property
log10WS	-5.45		Crippen Calculated Property
logPoct/wat	5.140		Crippen Calculated Property
McVol	314.000	ml/mol	McGowan Calculated Property
Pc	1173.63	kPa	Joback Calculated Property
Inp	[2418.00; 2418.00]
Inp	2418.00		NIST
Inp	2418.00		NIST
Tboil	879.99	K	Joback Calculated Property
Tc	1094.28	K	Joback Calculated Property
Tfus	469.06	K	Joback Calculated Property
Vc	1.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1097.90; 1193.84]	J/mol×K	[879.99; 1094.28]
Cp,gas	1097.90	J/mol×K	879.99	Joback Calculated Property
Cp,gas	1118.66	J/mol×K	915.71	Joback Calculated Property
Cp,gas	1137.49	J/mol×K	951.42	Joback Calculated Property
Cp,gas	1154.40	J/mol×K	987.14	Joback Calculated Property
Cp,gas	1169.42	J/mol×K	1022.85	Joback Calculated Property
Cp,gas	1182.56	J/mol×K	1058.57	Joback Calculated Property
Cp,gas	1193.84	J/mol×K	1094.28	Joback Calculated Property
η	[0.0000859; 0.0012161]	Pa×s	[469.06; 879.99]
η	0.0012161	Pa×s	469.06	Joback Calculated Property
η	0.0005902	Pa×s	537.55	Joback Calculated Property
η	0.0003372	Pa×s	606.04	Joback Calculated Property
η	0.0002159	Pa×s	674.52	Joback Calculated Property
η	0.0001501	Pa×s	743.01	Joback Calculated Property
η	0.0001109	Pa×s	811.50	Joback Calculated Property
η	0.0000859	Pa×s	879.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl isohexyl ester.

Sources

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

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