Chemical Properties of 6-Chlorohexanoic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C12H23ClO3/c1-11(7-9-15-2)10-16-12(14)6-4-3-5-8-13/h11H,3-10H2,1-2H3

InChI Key

LGSOBKQSTTXLJH-UHFFFAOYSA-N

Formula

C12H23ClO3

SMILES

COCCC(C)COC(=O)CCCCCCl

Molecular Weight¹

250.77

• 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	[304.88; 673.84]	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			5.40980e+01
Coefficient B			1.03854e+00
Coefficient C			-4.47000e-04
Coefficient D			2.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.88	J/mol×K	273.00	Calculated Property
Cp,gas	366.81	J/mol×K	353.78	Calculated Property
Cp,gas	423.30	J/mol×K	434.56	Calculated Property
Cp,gas	474.44	J/mol×K	515.33	Calculated Property
Cp,gas	520.32	J/mol×K	596.11	Calculated Property
Cp,gas	561.01	J/mol×K	676.89	Calculated Property
Cp,gas	596.63	J/mol×K	757.67	Calculated Property
Cp,gas	627.24	J/mol×K	838.44	Calculated Property
Cp,gas	652.95	J/mol×K	919.22	Calculated Property
Cp,gas	673.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037421; 0.0001738]	Pa×s	[304.48; 536.49]	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			-1.26865e+01
Coefficient B			2.16131e+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.			304.48
Temperature range, max.			536.49
η	0.0037421	Pa×s	304.48	Calculated Property
η	0.0021502	Pa×s	330.26	Calculated Property
η	0.0013388	Pa×s	356.04	Calculated Property
η	0.0008886	Pa×s	381.82	Calculated Property
η	0.0006212	Pa×s	407.59	Calculated Property
η	0.0004531	Pa×s	433.37	Calculated Property
η	0.0003425	Pa×s	459.15	Calculated Property
η	0.0002667	Pa×s	484.93	Calculated Property
η	0.0002129	Pa×s	510.71	Calculated Property
η	0.0001738	Pa×s	536.49	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chlorohexanoic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.