Chemical Properties of Isophthalic acid, cis-hex-3-enyl pentadecyl ester

InChI

InChI=1S/C29H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-24-33-29(31)27-22-20-21-26(25-27)28(30)32-23-18-8-6-4-2/h6,8,20-22,25H,3-5,7,9-19,23-24H2,1-2H3/b8-6-

InChI Key

YEISEMYWYSWCAK-VURMDHGXSA-N

Formula

C29H46O4

SMILES

CC/C=C\CCOC(=O)c1cccc(C(=O)OCCCCCCCCCCCCCCC)c1

Molecular Weight¹

458.68

• 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	[584.65; 1379.54]	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			-6.44300e+00
Coefficient B			2.53084e+00
Coefficient C			-1.41256e-03
Coefficient D			2.67700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	584.65	J/mol×K	273.00	Calculated Property
Cp,gas	723.97	J/mol×K	353.78	Calculated Property
Cp,gas	848.57	J/mol×K	434.56	Calculated Property
Cp,gas	959.29	J/mol×K	515.33	Calculated Property
Cp,gas	1056.97	J/mol×K	596.11	Calculated Property
Cp,gas	1142.47	J/mol×K	676.89	Calculated Property
Cp,gas	1216.63	J/mol×K	757.67	Calculated Property
Cp,gas	1280.30	J/mol×K	838.44	Calculated Property
Cp,gas	1334.32	J/mol×K	919.22	Calculated Property
Cp,gas	1379.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002658; 0.0000173]	Pa×s	[535.11; 872.89]	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			-1.52946e+01
Coefficient B			3.77892e+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.			535.11
Temperature range, max.			872.89
η	0.0002658	Pa×s	535.11	Calculated Property
η	0.0001673	Pa×s	572.64	Calculated Property
η	0.0001115	Pa×s	610.17	Calculated Property
η	0.0000779	Pa×s	647.70	Calculated Property
η	0.0000566	Pa×s	685.24	Calculated Property
η	0.0000425	Pa×s	722.77	Calculated Property
η	0.0000328	Pa×s	760.30	Calculated Property
η	0.0000260	Pa×s	797.83	Calculated Property
η	0.0000210	Pa×s	835.36	Calculated Property
η	0.0000173	Pa×s	872.89	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cis-hex-3-enyl pentadecyl ester.

Sources

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

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