Chemical Properties of Isophthalic acid, 2-cyclohexylethyl decyl ester

InChI

InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-12-19-29-25(27)23-16-13-17-24(21-23)26(28)30-20-18-22-14-10-9-11-15-22/h13,16-17,21-22H,2-12,14-15,18-20H2,1H3

InChI Key

IQUCMVGATXHUHB-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

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

Molecular Weight¹

416.60

• 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	1.1179		Relay (1.0) Calculated Property
ΔfH°gas	-926.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.16	kJ/mol	Joback Calculated Property
ΔvapH°	117.05	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.44		Relay (1.0) Calculated Property
logPoct/wat	7.111		Crippen Calculated Property
McVol	357.460	ml/mol	McGowan Calculated Property
Pc	1039.91	kPa	Joback Calculated Property
Inp	[3279.00; 3279.00]
Inp	3279.00		NIST
Inp	3279.00		NIST
Tboil	712.53	K	Relay (1.0) Calculated Property
Tc	917.88	K	Relay (1.0) Calculated Property
Tfus	296.32	K	Relay (1.0) Calculated Property
Vc	1.322	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	[1238.34; 1313.31]	J/mol×K	[998.07; 1223.03]
Cp,gas	1238.34	J/mol×K	998.07	Joback Calculated Property
Cp,gas	1254.97	J/mol×K	1035.56	Joback Calculated Property
Cp,gas	1269.87	J/mol×K	1073.06	Joback Calculated Property
Cp,gas	1283.09	J/mol×K	1110.55	Joback Calculated Property
Cp,gas	1294.70	J/mol×K	1148.05	Joback Calculated Property
Cp,gas	1304.76	J/mol×K	1185.54	Joback Calculated Property
Cp,gas	1313.31	J/mol×K	1223.03	Joback Calculated Property
η	[0.0000234; 0.0003382]	Pa×s	[573.42; 998.07]
η	0.0003382	Pa×s	573.42	Joback Calculated Property
η	0.0001696	Pa×s	644.20	Joback Calculated Property
η	0.0000975	Pa×s	714.97	Joback Calculated Property
η	0.0000619	Pa×s	785.75	Joback Calculated Property
η	0.0000424	Pa×s	856.52	Joback Calculated Property
η	0.0000308	Pa×s	927.29	Joback Calculated Property
η	0.0000234	Pa×s	998.07	Joback Calculated Property

Similar Compounds

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