Chemical Properties of Methyl pentyl phthalate

InChI

InChI=1S/C14H18O4/c1-3-4-7-10-18-14(16)12-9-6-5-8-11(12)13(15)17-2/h5-6,8-9H,3-4,7,10H2,1-2H3

InChI Key

LVBQLVTVWRWWMG-UHFFFAOYSA-N

Formula

C14H18O4

SMILES

CCCCCOC(=O)c1ccccc1C(=O)OC

Molecular Weight¹

250.29

Other Names

• 1,2-Benzenedicarboxylic acid, pentyl methyl ester

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.44; 636.25]	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			2.13740e+01
Coefficient B			1.08584e+00
Coefficient C			-5.12760e-04
Coefficient D			4.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.44	J/mol×K	273.00	Calculated Property
Cp,gas	343.19	J/mol×K	353.78	Calculated Property
Cp,gas	399.83	J/mol×K	434.56	Calculated Property
Cp,gas	450.49	J/mol×K	515.33	Calculated Property
Cp,gas	495.30	J/mol×K	596.11	Calculated Property
Cp,gas	534.40	J/mol×K	676.89	Calculated Property
Cp,gas	567.91	J/mol×K	757.67	Calculated Property
Cp,gas	595.96	J/mol×K	838.44	Calculated Property
Cp,gas	618.70	J/mol×K	919.22	Calculated Property
Cp,gas	636.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016800; 0.0001358]	Pa×s	[371.14; 608.94]	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			-1.28294e+01
Coefficient B			2.39028e+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.			371.14
Temperature range, max.			608.94
η	0.0016800	Pa×s	371.14	Calculated Property
η	0.0010950	Pa×s	397.56	Calculated Property
η	0.0007528	Pa×s	423.98	Calculated Property
η	0.0005408	Pa×s	450.41	Calculated Property
η	0.0004030	Pa×s	476.83	Calculated Property
η	0.0003098	Pa×s	503.25	Calculated Property
η	0.0002444	Pa×s	529.67	Calculated Property
η	0.0001973	Pa×s	556.09	Calculated Property
η	0.0001623	Pa×s	582.51	Calculated Property
η	0.0001358	Pa×s	608.94	Calculated Property

Similar Compounds

Find more compounds similar to Methyl pentyl phthalate.

Sources

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

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