Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methylcyclohexyl ester

InChI

InChI=1S/C19H32O4/c1-13(2)12-22-18(20)15-9-5-6-10-16(15)19(21)23-17-11-7-4-8-14(17)3/h13-17H,4-12H2,1-3H3

InChI Key

RYJARZHRNSBYFI-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)OC1CCCCC1C

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°	-327.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-862.41	kJ/mol	Joback Calculated Property
ΔfusH°	32.83	kJ/mol	Joback Calculated Property
ΔvapH°	76.05	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	4.114		Crippen Calculated Property
McVol	271.730	ml/mol	McGowan Calculated Property
Pc	1481.57	kPa	Joback Calculated Property
Inp	[2180.00; 2180.00]
Inp	2180.00		NIST
Inp	2180.00		NIST
Tboil	816.02	K	Joback Calculated Property
Tc	1034.14	K	Joback Calculated Property
Tfus	439.49	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.38; 1010.21]	J/mol×K	[816.02; 1034.14]
Cp,gas	909.38	J/mol×K	816.02	Joback Calculated Property
Cp,gas	930.62	J/mol×K	852.37	Joback Calculated Property
Cp,gas	950.07	J/mol×K	888.73	Joback Calculated Property
Cp,gas	967.74	J/mol×K	925.08	Joback Calculated Property
Cp,gas	983.64	J/mol×K	961.43	Joback Calculated Property
Cp,gas	997.79	J/mol×K	997.78	Joback Calculated Property
Cp,gas	1010.21	J/mol×K	1034.14	Joback Calculated Property
η	[0.0000989; 0.0015595]	Pa×s	[439.49; 816.02]
η	0.0015595	Pa×s	439.49	Joback Calculated Property
η	0.0007390	Pa×s	502.25	Joback Calculated Property
η	0.0004133	Pa×s	565.00	Joback Calculated Property
η	0.0002597	Pa×s	627.75	Joback Calculated Property
η	0.0001775	Pa×s	690.51	Joback Calculated Property
η	0.0001293	Pa×s	753.26	Joback Calculated Property
η	0.0000989	Pa×s	816.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methylcyclohexyl ester.

Sources

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

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