Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl octyl ester

InChI

InChI=1S/C21H38O4/c1-5-6-7-8-9-12-15-24-20(22)18-13-10-11-14-19(18)21(23)25-17(4)16(2)3/h16-19H,5-15H2,1-4H3

InChI Key

OLUQIVPWVYRHSU-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)C(C)C

Molecular Weight¹

354.52

• 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°	-330.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-942.95	kJ/mol	Joback Calculated Property
ΔfusH°	41.58	kJ/mol	Joback Calculated Property
ΔvapH°	80.00	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	5.284		Crippen Calculated Property
McVol	310.770	ml/mol	McGowan Calculated Property
Pc	1145.99	kPa	Joback Calculated Property
Inp	[2328.00; 2328.00]
Inp	2328.00		NIST
Inp	2328.00		NIST
Tboil	846.46	K	Joback Calculated Property
Tc	1046.00	K	Joback Calculated Property
Tfus	443.89	K	Joback Calculated Property
Vc	1.179	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1031.88; 1128.41]	J/mol×K	[846.46; 1046.00]
Cp,gas	1031.88	J/mol×K	846.46	Joback Calculated Property
Cp,gas	1051.50	J/mol×K	879.72	Joback Calculated Property
Cp,gas	1069.67	J/mol×K	912.97	Joback Calculated Property
Cp,gas	1086.43	J/mol×K	946.23	Joback Calculated Property
Cp,gas	1101.80	J/mol×K	979.48	Joback Calculated Property
Cp,gas	1115.78	J/mol×K	1012.74	Joback Calculated Property
Cp,gas	1128.41	J/mol×K	1046.00	Joback Calculated Property
η	[0.0000516; 0.0012526]	Pa×s	[443.89; 846.46]
η	0.0012526	Pa×s	443.89	Joback Calculated Property
η	0.0005193	Pa×s	510.99	Joback Calculated Property
η	0.0002641	Pa×s	578.08	Joback Calculated Property
η	0.0001546	Pa×s	645.17	Joback Calculated Property
η	0.0001001	Pa×s	712.27	Joback Calculated Property
η	0.0000699	Pa×s	779.37	Joback Calculated Property
η	0.0000516	Pa×s	846.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl octyl ester.

Sources

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

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