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

InChI

InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-13-16-25-21(23)19-14-11-12-15-20(19)22(24)26-17-18(2)3/h18-20H,4-17H2,1-3H3

InChI Key

XTLZHMNYSDYCTM-UHFFFAOYSA-N

Formula

C22H40O4

SMILES

CCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

368.55

• 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	0.9303		Relay (1.0) Calculated Property
ΔfG°	-319.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1069.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.69	kJ/mol	Joback Calculated Property
ΔvapH°	100.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-5.92		Relay (1.0) Calculated Property
logPoct/wat	5.676		Crippen Calculated Property
McVol	324.860	ml/mol	McGowan Calculated Property
Pc	1069.36	kPa	Joback Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	634.81	K	Relay (1.0) Calculated Property
Tc	838.56	K	Relay (1.0) Calculated Property
Tfus	297.58	K	Relay (1.0) Calculated Property
Vc	1.204	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.46; 1189.25]	J/mol×K	[869.78; 1069.70]
Cp,gas	1093.46	J/mol×K	869.78	Joback Calculated Property
Cp,gas	1113.02	J/mol×K	903.10	Joback Calculated Property
Cp,gas	1131.11	J/mol×K	936.42	Joback Calculated Property
Cp,gas	1147.76	J/mol×K	969.74	Joback Calculated Property
Cp,gas	1162.98	J/mol×K	1003.06	Joback Calculated Property
Cp,gas	1176.80	J/mol×K	1036.38	Joback Calculated Property
Cp,gas	1189.25	J/mol×K	1069.70	Joback Calculated Property
η	[0.0000488; 0.0009457]	Pa×s	[470.16; 869.78]
η	0.0009457	Pa×s	470.16	Joback Calculated Property
η	0.0004247	Pa×s	536.76	Joback Calculated Property
η	0.0002276	Pa×s	603.37	Joback Calculated Property
η	0.0001381	Pa×s	669.97	Joback Calculated Property
η	0.0000917	Pa×s	736.57	Joback Calculated Property
η	0.0000652	Pa×s	803.18	Joback Calculated Property
η	0.0000488	Pa×s	869.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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