Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methylpent-3-yl ester

InChI

InChI=1S/C18H32O4/c1-6-16(13(4)5)22-18(20)15-10-8-7-9-14(15)17(19)21-11-12(2)3/h12-16H,6-11H2,1-5H3

InChI Key

AJAIGAYUMWWMQQ-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

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

Molecular Weight¹

312.44

• 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°	-357.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-886.31	kJ/mol	Joback Calculated Property
ΔfusH°	30.29	kJ/mol	Joback Calculated Property
ΔvapH°	72.93	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	3.970		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Pc	1415.44	kPa	Joback Calculated Property
Inp	[2032.00; 2032.00]
Inp	2032.00		NIST
Inp	2032.00		NIST
Tboil	777.38	K	Joback Calculated Property
Tc	979.06	K	Joback Calculated Property
Tfus	395.08	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.23; 948.82]	J/mol×K	[777.38; 979.06]
Cp,gas	850.23	J/mol×K	777.38	Joback Calculated Property
Cp,gas	869.99	J/mol×K	810.99	Joback Calculated Property
Cp,gas	888.40	J/mol×K	844.61	Joback Calculated Property
Cp,gas	905.48	J/mol×K	878.22	Joback Calculated Property
Cp,gas	921.23	J/mol×K	911.83	Joback Calculated Property
Cp,gas	935.67	J/mol×K	945.45	Joback Calculated Property
Cp,gas	948.82	J/mol×K	979.06	Joback Calculated Property
η	[0.0000721; 0.0021620]	Pa×s	[395.08; 777.38]
η	0.0021620	Pa×s	395.08	Joback Calculated Property
η	0.0008276	Pa×s	458.80	Joback Calculated Property
η	0.0004004	Pa×s	522.51	Joback Calculated Property
η	0.0002268	Pa×s	586.23	Joback Calculated Property
η	0.0001436	Pa×s	649.95	Joback Calculated Property
η	0.0000987	Pa×s	713.66	Joback Calculated Property
η	0.0000721	Pa×s	777.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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