Chemical Properties of Isophthalic acid, butyl cyclohexylmethyl ester

InChI

InChI=1S/C19H26O4/c1-2-3-12-22-18(20)16-10-7-11-17(13-16)19(21)23-14-15-8-5-4-6-9-15/h7,10-11,13,15H,2-6,8-9,12,14H2,1H3

InChI Key

CBWNOKNCURZQKJ-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CCCCOC(=O)c1cccc(C(=O)OCC2CCCCC2)c1

Molecular Weight¹

318.41

• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.39; 879.28]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.87760e+01
Coefficient B			1.68292e+00
Coefficient C			-8.65760e-04
Coefficient D			1.10900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	348.39	J/mol×K	273.00	Calculated Property
Cp,gas	443.16	J/mol×K	353.78	Calculated Property
Cp,gas	528.16	J/mol×K	434.56	Calculated Property
Cp,gas	603.75	J/mol×K	515.33	Calculated Property
Cp,gas	670.28	J/mol×K	596.11	Calculated Property
Cp,gas	728.10	J/mol×K	676.89	Calculated Property
Cp,gas	777.55	J/mol×K	757.67	Calculated Property
Cp,gas	819.01	J/mol×K	838.44	Calculated Property
Cp,gas	852.80	J/mol×K	919.22	Calculated Property
Cp,gas	879.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011782; 0.0000808]	Pa×s	[434.87; 713.43]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.36087e+01
Coefficient B			2.98535e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			434.87
Temperature range, max.			713.43
η	0.0011782	Pa×s	434.87	Calculated Property
η	0.0007467	Pa×s	465.82	Calculated Property
η	0.0005009	Pa×s	496.77	Calculated Property
η	0.0003521	Pa×s	527.72	Calculated Property
η	0.0002574	Pa×s	558.67	Calculated Property
η	0.0001944	Pa×s	589.62	Calculated Property
η	0.0001510	Pa×s	620.57	Calculated Property
η	0.0001202	Pa×s	651.52	Calculated Property
η	0.0000976	Pa×s	682.48	Calculated Property
η	0.0000808	Pa×s	713.43	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl cyclohexylmethyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.