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

InChI

InChI=1S/C21H36O4/c1-4-5-8-11-24-20(22)18-9-6-7-10-19(18)21(23)25-17-13-15(2)12-16(3)14-17/h15-19H,4-14H2,1-3H3

InChI Key

CNSKQIPMGXCCKR-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

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

Molecular Weight¹

352.51

• 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°	-316.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-918.75	kJ/mol	Joback Calculated Property
ΔfusH°	42.60	kJ/mol	Joback Calculated Property
ΔvapH°	80.58	kJ/mol	Joback Calculated Property
log10WS	-5.27		Crippen Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	299.910	ml/mol	McGowan Calculated Property
Pc	1247.73	kPa	Joback Calculated Property
Inp	[2369.00; 2369.00]
Inp	2369.00		NIST
Inp	2369.00		NIST
Tboil	857.55	K	Joback Calculated Property
Tc	1070.02	K	Joback Calculated Property
Tfus	472.79	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1035.08; 1132.97]	J/mol×K	[857.55; 1070.02]
Cp,gas	1035.08	J/mol×K	857.55	Joback Calculated Property
Cp,gas	1055.95	J/mol×K	892.96	Joback Calculated Property
Cp,gas	1074.98	J/mol×K	928.37	Joback Calculated Property
Cp,gas	1092.18	J/mol×K	963.79	Joback Calculated Property
Cp,gas	1107.58	J/mol×K	999.20	Joback Calculated Property
Cp,gas	1121.17	J/mol×K	1034.61	Joback Calculated Property
Cp,gas	1132.97	J/mol×K	1070.02	Joback Calculated Property
η	[0.0001070; 0.0011802]	Pa×s	[472.79; 857.55]
η	0.0011802	Pa×s	472.79	Joback Calculated Property
η	0.0006229	Pa×s	536.92	Joback Calculated Property
η	0.0003768	Pa×s	601.04	Joback Calculated Property
η	0.0002511	Pa×s	665.17	Joback Calculated Property
η	0.0001797	Pa×s	729.30	Joback Calculated Property
η	0.0001358	Pa×s	793.42	Joback Calculated Property
η	0.0001070	Pa×s	857.55	Joback Calculated Property

Similar Compounds

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

Sources

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

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