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

InChI

InChI=1S/C21H34O4/c1-16(2)9-8-14-24-20(22)18-12-6-7-13-19(18)21(23)25-15-17-10-4-3-5-11-17/h3-4,16-19H,5-15H2,1-2H3

InChI Key

NUVAWUAGVVGSBE-UHFFFAOYSA-N

Formula

C21H34O4

SMILES

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

Molecular Weight¹

350.49

• 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	0.7325		Relay (1.0) Calculated Property
ΔfG°	-273.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-956.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.16	kJ/mol	Joback Calculated Property
ΔvapH°	101.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) Calculated Property
logPoct/wat	4.672		Crippen Calculated Property
McVol	295.610	ml/mol	McGowan Calculated Property
Pc	1350.65	kPa	Joback Calculated Property
Inp	[2465.00; 2465.00]
Inp	2465.00		NIST
Inp	2465.00		NIST
Tboil	658.72	K	Relay (1.0) Calculated Property
Tc	861.45	K	Relay (1.0) Calculated Property
Tfus	307.10	K	Relay (1.0) Calculated Property
Vc	1.058	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[999.80; 1091.46]	J/mol×K	[865.61; 1082.03]
Cp,gas	999.80	J/mol×K	865.61	Joback Calculated Property
Cp,gas	1019.33	J/mol×K	901.68	Joback Calculated Property
Cp,gas	1037.13	J/mol×K	937.75	Joback Calculated Property
Cp,gas	1053.21	J/mol×K	973.82	Joback Calculated Property
Cp,gas	1067.61	J/mol×K	1009.89	Joback Calculated Property
Cp,gas	1080.35	J/mol×K	1045.96	Joback Calculated Property
Cp,gas	1091.46	J/mol×K	1082.03	Joback Calculated Property
η	[0.0000631; 0.0011766]	Pa×s	[467.03; 865.61]
η	0.0011766	Pa×s	467.03	Joback Calculated Property
η	0.0005334	Pa×s	533.46	Joback Calculated Property
η	0.0002881	Pa×s	599.89	Joback Calculated Property
η	0.0001759	Pa×s	666.32	Joback Calculated Property
η	0.0001175	Pa×s	732.75	Joback Calculated Property
η	0.0000839	Pa×s	799.18	Joback Calculated Property
η	0.0000631	Pa×s	865.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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