Chemical Properties of Phthalic acid, pentyl trans-hex-3-enyl ester

InChI

InChI=1S/C19H26O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h5,7-9,12-13H,3-4,6,10-11,14-15H2,1-2H3/b7-5+

InChI Key

UQBPKRRAEVMVDB-FNORWQNLSA-N

Formula

C19H26O4

SMILES

CCC=CCCOC(=O)c1ccccc1C(=O)OCCCCC

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	[372.51; 863.63]	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			2.64700e+00
Coefficient B			1.58084e+00
Coefficient C			-8.68560e-04
Coefficient D			1.48700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.51	J/mol×K	273.00	Calculated Property
Cp,gas	459.79	J/mol×K	353.78	Calculated Property
Cp,gas	537.79	J/mol×K	434.56	Calculated Property
Cp,gas	606.99	J/mol×K	515.33	Calculated Property
Cp,gas	667.86	J/mol×K	596.11	Calculated Property
Cp,gas	720.86	J/mol×K	676.89	Calculated Property
Cp,gas	766.47	J/mol×K	757.67	Calculated Property
Cp,gas	805.15	J/mol×K	838.44	Calculated Property
Cp,gas	837.38	J/mol×K	919.22	Calculated Property
Cp,gas	863.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009561; 0.0000705]	Pa×s	[422.41; 690.33]	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			-1.36697e+01
Coefficient B			2.83732e+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.			422.41
Temperature range, max.			690.33
η	0.0009561	Pa×s	422.41	Calculated Property
η	0.0006144	Pa×s	452.18	Calculated Property
η	0.0004170	Pa×s	481.95	Calculated Property
η	0.0002961	Pa×s	511.72	Calculated Property
η	0.0002183	Pa×s	541.49	Calculated Property
η	0.0001661	Pa×s	571.26	Calculated Property
η	0.0001299	Pa×s	601.02	Calculated Property
η	0.0001039	Pa×s	630.79	Calculated Property
η	0.0000849	Pa×s	660.56	Calculated Property
η	0.0000705	Pa×s	690.33	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, pentyl trans-hex-3-enyl ester.

Sources

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

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