Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(2-methylpent-3-yl) ester

InChI

InChI=1S/C20H36O4/c1-7-17(13(3)4)23-19(21)15-11-9-10-12-16(15)20(22)24-18(8-2)14(5)6/h13-18H,7-12H2,1-6H3

InChI Key

RGQKNUDLRLDOKP-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCC(OC(=O)C1CCCCC1C(=O)OC(CC)C(C)C)C(C)C

Molecular Weight¹

340.50

• 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°	-343.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-932.87	kJ/mol	Joback Calculated Property
ΔfusH°	31.94	kJ/mol	Joback Calculated Property
ΔvapH°	76.99	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.748		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1238.09	kPa	Joback Calculated Property
Inp	[2229.00; 2229.00]
Inp	2229.00		NIST
Inp	2229.00		NIST
Tboil	822.70	K	Joback Calculated Property
Tc	1025.44	K	Joback Calculated Property
Tfus	402.62	K	Joback Calculated Property
Vc	1.111	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.41; 1069.60]	J/mol×K	[822.70; 1025.44]
Cp,gas	971.41	J/mol×K	822.70	Joback Calculated Property
Cp,gas	991.37	J/mol×K	856.49	Joback Calculated Property
Cp,gas	1009.88	J/mol×K	890.28	Joback Calculated Property
Cp,gas	1026.93	J/mol×K	924.07	Joback Calculated Property
Cp,gas	1042.56	J/mol×K	957.86	Joback Calculated Property
Cp,gas	1056.78	J/mol×K	991.65	Joback Calculated Property
Cp,gas	1069.60	J/mol×K	1025.44	Joback Calculated Property
η	[0.0000501; 0.0021323]	Pa×s	[402.62; 822.70]
η	0.0021323	Pa×s	402.62	Joback Calculated Property
η	0.0007181	Pa×s	472.63	Joback Calculated Property
η	0.0003203	Pa×s	542.65	Joback Calculated Property
η	0.0001718	Pa×s	612.66	Joback Calculated Property
η	0.0001047	Pa×s	682.67	Joback Calculated Property
η	0.0000700	Pa×s	752.69	Joback Calculated Property
η	0.0000501	Pa×s	822.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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