Chemical Properties of Isophthalic acid, 2-cyclohexylethyl heptyl ester

InChI

InChI=1S/C23H34O4/c1-2-3-4-5-9-16-26-22(24)20-13-10-14-21(18-20)23(25)27-17-15-19-11-7-6-8-12-19/h10,13-14,18-19H,2-9,11-12,15-17H2,1H3

InChI Key

UCVSVXWJYXTQLO-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)OCCC2CCCCC2)c1

Molecular Weight¹

374.52

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	1.0039		Relay (1.0) Calculated Property
ΔfH°gas	-862.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.39	kJ/mol	Joback Calculated Property
ΔvapH°	105.54	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.60		Relay (1.0) Calculated Property
logPoct/wat	5.941		Crippen Calculated Property
McVol	315.190	ml/mol	McGowan Calculated Property
Pc	1263.75	kPa	Joback Calculated Property
Inp	[2959.00; 2959.00]
Inp	2959.00		NIST
Inp	2959.00		NIST
Tboil	692.73	K	Relay (1.0) Calculated Property
Tc	897.99	K	Relay (1.0) Calculated Property
Tfus	291.71	K	Relay (1.0) Calculated Property
Vc	1.160	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1053.39; 1131.26]	J/mol×K	[929.43; 1147.80]
Cp,gas	1053.39	J/mol×K	929.43	Joback Calculated Property
Cp,gas	1070.16	J/mol×K	965.82	Joback Calculated Property
Cp,gas	1085.35	J/mol×K	1002.22	Joback Calculated Property
Cp,gas	1099.02	J/mol×K	1038.61	Joback Calculated Property
Cp,gas	1111.19	J/mol×K	1075.01	Joback Calculated Property
Cp,gas	1121.93	J/mol×K	1111.40	Joback Calculated Property
Cp,gas	1131.26	J/mol×K	1147.80	Joback Calculated Property
η	[0.0000368; 0.0004850]	Pa×s	[539.61; 929.43]
η	0.0004850	Pa×s	539.61	Joback Calculated Property
η	0.0002504	Pa×s	604.58	Joback Calculated Property
η	0.0001470	Pa×s	669.55	Joback Calculated Property
η	0.0000948	Pa×s	734.52	Joback Calculated Property
η	0.0000657	Pa×s	799.49	Joback Calculated Property
η	0.0000481	Pa×s	864.46	Joback Calculated Property
η	0.0000368	Pa×s	929.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-cyclohexylethyl heptyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.