Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isohexyl isopropyl ester

InChI

InChI=1S/C17H30O4/c1-12(2)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h12-15H,5-11H2,1-4H3

InChI Key

ONUIWTQGPQZMLW-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OC(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	0.6994		Relay (1.0) Calculated Property
ΔfG°	-363.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-991.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.22	kJ/mol	Joback Calculated Property
ΔvapH°	83.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	3.724		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[2102.00; 2102.00]
Inp	2102.00		NIST
Inp	2102.00		NIST
Tboil	571.73	K	Relay (1.0) Calculated Property
Tc	785.48	K	Relay (1.0) Calculated Property
Tfus	280.90	K	Relay (1.0) Calculated Property
Vc	0.929	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.61; 888.42]	J/mol×K	[754.94; 955.18]
Cp,gas	790.61	J/mol×K	754.94	Joback Calculated Property
Cp,gas	810.05	J/mol×K	788.31	Joback Calculated Property
Cp,gas	828.22	J/mol×K	821.69	Joback Calculated Property
Cp,gas	845.14	J/mol×K	855.06	Joback Calculated Property
Cp,gas	860.80	J/mol×K	888.43	Joback Calculated Property
Cp,gas	875.23	J/mol×K	921.80	Joback Calculated Property
Cp,gas	888.42	J/mol×K	955.18	Joback Calculated Property
η	[0.0000896; 0.0019397]	Pa×s	[398.81; 754.94]
η	0.0019397	Pa×s	398.81	Joback Calculated Property
η	0.0008336	Pa×s	458.17	Joback Calculated Property
η	0.0004348	Pa×s	517.52	Joback Calculated Property
η	0.0002593	Pa×s	576.88	Joback Calculated Property
η	0.0001703	Pa×s	636.23	Joback Calculated Property
η	0.0001202	Pa×s	695.59	Joback Calculated Property
η	0.0000896	Pa×s	754.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl isopropyl ester.

Sources

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

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