Chemical Properties of Isophthalic acid, decyl 2-methylcyclohexyl ester

InChI

InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)21-15-13-16-22(19-21)25(27)29-23-17-11-10-14-20(23)2/h13,15-16,19-20,23H,3-12,14,17-18H2,1-2H3

InChI Key

IKESYGHOWXFUSS-UHFFFAOYSA-N

Formula

C25H38O4

SMILES

CCCCCCCCCCOC(=O)c1cccc(C(=O)OC2CCCCC2C)c1

Molecular Weight¹

402.57

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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	1.0602		Relay (1.0) Calculated Property
ΔfusH°	55.80	kJ/mol	Joback Calculated Property
log10WS	-6.88		Relay (1.0) Calculated Property
logPoct/wat	6.720		Crippen Calculated Property
McVol	343.370	ml/mol	McGowan Calculated Property
Pc	1027.28	kPa	Joback Calculated Property
Inp	[3089.00; 3089.00]
Inp	3089.00		NIST
Inp	3089.00		NIST
Tboil	690.87	K	Relay (1.0) Calculated Property
Tc	913.48	K	Relay (1.0) Calculated Property
Tfus	292.38	K	Relay (1.0) Calculated Property
Vc	1.273	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[1165.40; 1243.03]	J/mol×K	[934.58; 1149.63]
Cp,gas	1165.40	J/mol×K	934.58	Joback Calculated Property
Cp,gas	1182.61	J/mol×K	970.42	Joback Calculated Property
Cp,gas	1198.06	J/mol×K	1006.26	Joback Calculated Property
Cp,gas	1211.79	J/mol×K	1042.11	Joback Calculated Property
Cp,gas	1223.83	J/mol×K	1077.95	Joback Calculated Property
Cp,gas	1234.23	J/mol×K	1113.79	Joback Calculated Property
Cp,gas	1243.03	J/mol×K	1149.63	Joback Calculated Property
η	[0.0000274; 0.0006048]	Pa×s	[498.25; 934.58]
η	0.0006048	Pa×s	498.25	Joback Calculated Property
η	0.0002600	Pa×s	570.97	Joback Calculated Property
η	0.0001353	Pa×s	643.69	Joback Calculated Property
η	0.0000803	Pa×s	716.41	Joback Calculated Property
η	0.0000525	Pa×s	789.14	Joback Calculated Property
η	0.0000369	Pa×s	861.86	Joback Calculated Property
η	0.0000274	Pa×s	934.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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