Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl octyl ester

InChI

InChI=1S/C21H38O4/c1-4-6-7-8-9-12-15-24-20(22)18-13-10-11-14-19(18)21(23)25-16-17(3)5-2/h17-19H,4-16H2,1-3H3

InChI Key

HFJKDRYEXHOQFZ-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)CC

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°	-327.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-937.67	kJ/mol	Joback Calculated Property
ΔfusH°	45.10	kJ/mol	Joback Calculated Property
ΔvapH°	80.38	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	5.286		Crippen Calculated Property
McVol	310.770	ml/mol	McGowan Calculated Property
Pc	1139.80	kPa	Joback Calculated Property
Inp	[2378.00; 2378.00]
Inp	2378.00		NIST
Inp	2378.00		NIST
Tboil	846.90	K	Joback Calculated Property
Tc	1044.97	K	Joback Calculated Property
Tfus	458.89	K	Joback Calculated Property
Vc	1.185	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1031.42; 1127.60]	J/mol×K	[846.90; 1044.97]
Cp,gas	1031.42	J/mol×K	846.90	Joback Calculated Property
Cp,gas	1050.90	J/mol×K	879.91	Joback Calculated Property
Cp,gas	1068.97	J/mol×K	912.92	Joback Calculated Property
Cp,gas	1085.66	J/mol×K	945.93	Joback Calculated Property
Cp,gas	1100.98	J/mol×K	978.95	Joback Calculated Property
Cp,gas	1114.96	J/mol×K	1011.96	Joback Calculated Property
Cp,gas	1127.60	J/mol×K	1044.97	Joback Calculated Property
η	[0.0000563; 0.0010593]	Pa×s	[458.89; 846.90]
η	0.0010593	Pa×s	458.89	Joback Calculated Property
η	0.0004803	Pa×s	523.56	Joback Calculated Property
η	0.0002591	Pa×s	588.23	Joback Calculated Property
η	0.0001580	Pa×s	652.89	Joback Calculated Property
η	0.0001053	Pa×s	717.56	Joback Calculated Property
η	0.0000751	Pa×s	782.23	Joback Calculated Property
η	0.0000563	Pa×s	846.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl octyl ester.

Sources

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

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