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

InChI

InChI=1S/C18H32O4/c1-4-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(2)3/h14-16H,4-13H2,1-3H3

InChI Key

DRNQUQOSMYBINP-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

312.44

• 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	0.7829		Relay (1.0) Calculated Property
ΔfG°	-352.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-989.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.33	kJ/mol	Joback Calculated Property
ΔvapH°	85.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	4.115		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Pc	1398.55	kPa	Joback Calculated Property
Inp	[2076.00; 2076.00]
Inp	2076.00		NIST
Inp	2076.00		NIST
Tboil	604.20	K	Relay (1.0) Calculated Property
Tc	802.61	K	Relay (1.0) Calculated Property
Tfus	281.28	K	Relay (1.0) Calculated Property
Vc	0.987	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.26; 946.13]	J/mol×K	[778.26; 975.02]
Cp,gas	849.26	J/mol×K	778.26	Joback Calculated Property
Cp,gas	868.53	J/mol×K	811.05	Joback Calculated Property
Cp,gas	886.53	J/mol×K	843.85	Joback Calculated Property
Cp,gas	903.28	J/mol×K	876.64	Joback Calculated Property
Cp,gas	918.79	J/mol×K	909.43	Joback Calculated Property
Cp,gas	933.07	J/mol×K	942.22	Joback Calculated Property
Cp,gas	946.13	J/mol×K	975.02	Joback Calculated Property
η	[0.0000852; 0.0014522]	Pa×s	[425.08; 778.26]
η	0.0014522	Pa×s	425.08	Joback Calculated Property
η	0.0006791	Pa×s	483.94	Joback Calculated Property
η	0.0003745	Pa×s	542.81	Joback Calculated Property
η	0.0002320	Pa×s	601.67	Joback Calculated Property
η	0.0001565	Pa×s	660.53	Joback Calculated Property
η	0.0001127	Pa×s	719.40	Joback Calculated Property
η	0.0000852	Pa×s	778.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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