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

InChI

InChI=1S/C17H30O4/c1-4-5-8-11-20-16(18)14-9-6-7-10-15(14)17(19)21-12-13(2)3/h13-15H,4-12H2,1-3H3

InChI Key

OLYHQZVEXBYJFM-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

298.42

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7445		Relay (1.0) Calculated Property
ΔfG°	-361.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-970.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.74	kJ/mol	Joback Calculated Property
ΔvapH°	82.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.725		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Pc	1504.65	kPa	Joback Calculated Property
Inp	[1978.00; 1978.00]
Inp	1978.00		NIST
Inp	1978.00		NIST
Tboil	594.10	K	Relay (1.0) Calculated Property
Tc	791.90	K	Relay (1.0) Calculated Property
Tfus	277.97	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.12; 886.95]	J/mol×K	[755.38; 952.93]
Cp,gas	790.12	J/mol×K	755.38	Joback Calculated Property
Cp,gas	809.29	J/mol×K	788.31	Joback Calculated Property
Cp,gas	827.24	J/mol×K	821.23	Joback Calculated Property
Cp,gas	843.97	J/mol×K	854.16	Joback Calculated Property
Cp,gas	859.49	J/mol×K	887.08	Joback Calculated Property
Cp,gas	873.82	J/mol×K	920.01	Joback Calculated Property
Cp,gas	886.95	J/mol×K	952.93	Joback Calculated Property
η	[0.0000972; 0.0015981]	Pa×s	[413.81; 755.38]
η	0.0015981	Pa×s	413.81	Joback Calculated Property
η	0.0007558	Pa×s	470.74	Joback Calculated Property
η	0.0004201	Pa×s	527.67	Joback Calculated Property
η	0.0002618	Pa×s	584.60	Joback Calculated Property
η	0.0001775	Pa×s	641.52	Joback Calculated Property
η	0.0001282	Pa×s	698.45	Joback Calculated Property
η	0.0000972	Pa×s	755.38	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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