Chemical Properties of Phthalic acid, butyl 2-chloropropyl ester

InChI

InChI=1S/C15H19ClO4/c1-3-4-9-19-14(17)12-7-5-6-8-13(12)15(18)20-10-11(2)16/h5-8,11H,3-4,9-10H2,1-2H3

InChI Key

HUJULUMCXOSIMM-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCC(C)Cl

Molecular Weight¹

298.76

• 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	[314.75; 696.65]	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			3.16740e+01
Coefficient B			1.19354e+00
Coefficient C			-5.90760e-04
Coefficient D			6.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.75	J/mol×K	273.00	Calculated Property
Cp,gas	382.74	J/mol×K	353.78	Calculated Property
Cp,gas	443.88	J/mol×K	434.56	Calculated Property
Cp,gas	498.37	J/mol×K	515.33	Calculated Property
Cp,gas	546.41	J/mol×K	596.11	Calculated Property
Cp,gas	588.18	J/mol×K	676.89	Calculated Property
Cp,gas	623.90	J/mol×K	757.67	Calculated Property
Cp,gas	653.75	J/mol×K	838.44	Calculated Property
Cp,gas	677.94	J/mol×K	919.22	Calculated Property
Cp,gas	696.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015032; 0.0001051]	Pa×s	[397.33; 654.00]	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			-1.32793e+01
Coefficient B			2.69358e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			397.33
Temperature range, max.			654.00
η	0.0015032	Pa×s	397.33	Calculated Property
η	0.0009547	Pa×s	425.85	Calculated Property
η	0.0006419	Pa×s	454.37	Calculated Property
η	0.0004523	Pa×s	482.89	Calculated Property
η	0.0003314	Pa×s	511.40	Calculated Property
η	0.0002509	Pa×s	539.92	Calculated Property
η	0.0001953	Pa×s	568.44	Calculated Property
η	0.0001558	Pa×s	596.96	Calculated Property
η	0.0001268	Pa×s	625.48	Calculated Property
η	0.0001051	Pa×s	654.00	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, butyl 2-chloropropyl ester.

Sources

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

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