Chemical Properties of 4-Chlorobutyric acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C10H19ClO3/c1-9(5-7-13-2)8-14-10(12)4-3-6-11/h9H,3-8H2,1-2H3

InChI Key

GJHPDBDYVXVFNP-UHFFFAOYSA-N

Formula

C10H19ClO3

SMILES

COCCC(C)COC(=O)CCCCl

Molecular Weight¹

222.71

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[262.45; 570.66]	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			5.59160e+01
Coefficient B			8.48540e-01
Coefficient C			-3.38200e-04
Coefficient D			4.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.45	J/mol×K	273.00	Calculated Property
Cp,gas	313.98	J/mol×K	353.78	Calculated Property
Cp,gas	361.15	J/mol×K	434.56	Calculated Property
Cp,gas	403.98	J/mol×K	515.33	Calculated Property
Cp,gas	442.49	J/mol×K	596.11	Calculated Property
Cp,gas	476.69	J/mol×K	676.89	Calculated Property
Cp,gas	506.59	J/mol×K	757.67	Calculated Property
Cp,gas	532.21	J/mol×K	838.44	Calculated Property
Cp,gas	553.56	J/mol×K	919.22	Calculated Property
Cp,gas	570.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044752; 0.0002012]	Pa×s	[281.94; 506.42]	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			-1.24071e+01
Coefficient B			1.97299e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			281.94
Temperature range, max.			506.42
η	0.0044752	Pa×s	281.94	Calculated Property
η	0.0025340	Pa×s	306.88	Calculated Property
η	0.0015629	Pa×s	331.82	Calculated Property
η	0.0010313	Pa×s	356.77	Calculated Property
η	0.0007186	Pa×s	381.71	Calculated Property
η	0.0005233	Pa×s	406.65	Calculated Property
η	0.0003954	Pa×s	431.59	Calculated Property
η	0.0003080	Pa×s	456.53	Calculated Property
η	0.0002462	Pa×s	481.48	Calculated Property
η	0.0002012	Pa×s	506.42	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobutyric acid, 4-methoxy-2-methylbutyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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