Chemical Properties of Phthalic acid, butyl 6-methylhept-2-yl ester

InChI

InChI=1S/C20H30O4/c1-5-6-14-23-19(21)17-12-7-8-13-18(17)20(22)24-16(4)11-9-10-15(2)3/h7-8,12-13,15-16H,5-6,9-11,14H2,1-4H3

InChI Key

XEWXCEFKZFKPHR-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCOC(=O)c1ccccc1C(=O)OC(C)CCCC(C)C

Molecular Weight¹

334.46

• 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	[407.10; 946.88]	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			1.25560e+01
Coefficient B			1.66768e+00
Coefficient C			-8.45560e-04
Coefficient D			1.12200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.10	J/mol×K	273.00	Calculated Property
Cp,gas	501.68	J/mol×K	353.78	Calculated Property
Cp,gas	586.79	J/mol×K	434.56	Calculated Property
Cp,gas	662.77	J/mol×K	515.33	Calculated Property
Cp,gas	729.98	J/mol×K	596.11	Calculated Property
Cp,gas	788.77	J/mol×K	676.89	Calculated Property
Cp,gas	839.50	J/mol×K	757.67	Calculated Property
Cp,gas	882.53	J/mol×K	838.44	Calculated Property
Cp,gas	918.20	J/mol×K	919.22	Calculated Property
Cp,gas	946.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013786; 0.0000622]	Pa×s	[408.76; 702.24]	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			-1.40015e+01
Coefficient B			3.03088e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			408.76
Temperature range, max.			702.24
η	0.0013786	Pa×s	408.76	Calculated Property
η	0.0007971	Pa×s	441.37	Calculated Property
η	0.0004970	Pa×s	473.98	Calculated Property
η	0.0003293	Pa×s	506.59	Calculated Property
η	0.0002293	Pa×s	539.20	Calculated Property
η	0.0001664	Pa×s	571.81	Calculated Property
η	0.0001250	Pa×s	604.42	Calculated Property
η	0.0000967	Pa×s	637.03	Calculated Property
η	0.0000767	Pa×s	669.64	Calculated Property
η	0.0000622	Pa×s	702.24	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, butyl 6-methylhept-2-yl ester.

Sources

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

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