Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl isobutyl ester

InChI

InChI=1S/C19H30O4/c1-14(2)12-22-18(20)16-10-6-7-11-17(16)19(21)23-13-15-8-4-3-5-9-15/h3-4,14-17H,5-13H2,1-2H3

InChI Key

YUCZHEXLLRNOJX-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)OCC1CC=CCC1

Molecular Weight¹

322.44

• 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	0.6627		Relay (1.0) Calculated Property
ΔfG°	-290.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-913.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.98	kJ/mol	Joback Calculated Property
ΔvapH°	94.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	3.891		Crippen Calculated Property
McVol	267.430	ml/mol	McGowan Calculated Property
Pc	1563.52	kPa	Joback Calculated Property
Inp	[2270.00; 2270.00]
Inp	2270.00		NIST
Inp	2270.00		NIST
Tboil	642.71	K	Relay (1.0) Calculated Property
Tc	843.37	K	Relay (1.0) Calculated Property
Tfus	316.23	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.51; 973.31]	J/mol×K	[819.85; 1039.43]
Cp,gas	878.51	J/mol×K	819.85	Joback Calculated Property
Cp,gas	898.50	J/mol×K	856.45	Joback Calculated Property
Cp,gas	916.78	J/mol×K	893.04	Joback Calculated Property
Cp,gas	933.37	J/mol×K	929.64	Joback Calculated Property
Cp,gas	948.31	J/mol×K	966.24	Joback Calculated Property
Cp,gas	961.61	J/mol×K	1002.83	Joback Calculated Property
Cp,gas	973.31	J/mol×K	1039.43	Joback Calculated Property
η	[0.0000832; 0.0014560]	Pa×s	[444.49; 819.85]
η	0.0014560	Pa×s	444.49	Joback Calculated Property
η	0.0006732	Pa×s	507.05	Joback Calculated Property
η	0.0003688	Pa×s	569.61	Joback Calculated Property
η	0.0002275	Pa×s	632.17	Joback Calculated Property
η	0.0001532	Pa×s	694.73	Joback Calculated Property
η	0.0001101	Pa×s	757.29	Joback Calculated Property
η	0.0000832	Pa×s	819.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl isobutyl ester.

Sources

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

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