Chemical Properties of Phthalic acid, butyl trans-dec-3-enyl ester

InChI

InChI=1S/C22H32O4/c1-3-5-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-6-4-2/h10-13,15-16H,3-9,14,17-18H2,1-2H3/b11-10+

InChI Key

SRZFSBYTULFKFS-ZHACJKMWSA-N

Formula

C22H32O4

SMILES

CCCCCCC=CCCOC(=O)c1ccccc1C(=O)OCCCC

Molecular Weight¹

360.49

• 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	[436.15; 1018.40]	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			-8.00000e-02
Coefficient B			1.86584e+00
Coefficient C			-1.03176e-03
Coefficient D			1.84400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	436.15	J/mol×K	273.00	Calculated Property
Cp,gas	539.04	J/mol×K	353.78	Calculated Property
Cp,gas	631.03	J/mol×K	434.56	Calculated Property
Cp,gas	712.68	J/mol×K	515.33	Calculated Property
Cp,gas	784.59	J/mol×K	596.11	Calculated Property
Cp,gas	847.35	J/mol×K	676.89	Calculated Property
Cp,gas	901.52	J/mol×K	757.67	Calculated Property
Cp,gas	947.70	J/mol×K	838.44	Calculated Property
Cp,gas	986.46	J/mol×K	919.22	Calculated Property
Cp,gas	1018.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006727; 0.0000491]	Pa×s	[456.22; 738.99]	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			-1.41425e+01
Coefficient B			3.11980e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.22
Temperature range, max.			738.99
η	0.0006727	Pa×s	456.22	Calculated Property
η	0.0004330	Pa×s	487.64	Calculated Property
η	0.0002940	Pa×s	519.06	Calculated Property
η	0.0002086	Pa×s	550.48	Calculated Property
η	0.0001536	Pa×s	581.90	Calculated Property
η	0.0001167	Pa×s	613.31	Calculated Property
η	0.0000911	Pa×s	644.73	Calculated Property
η	0.0000728	Pa×s	676.15	Calculated Property
η	0.0000593	Pa×s	707.57	Calculated Property
η	0.0000491	Pa×s	738.99	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, butyl trans-dec-3-enyl ester.

Sources

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

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