Chemical Properties of Isobutyric acid, 8-chlorooctyl ester

InChI

InChI=1S/C12H23ClO2/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h11H,3-10H2,1-2H3

InChI Key

OOOCYBWKLRBAHC-UHFFFAOYSA-N

Formula

C12H23ClO2

SMILES

CC(C)C(=O)OCCCCCCCCCl

Molecular Weight¹

234.76

• 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	[289.47; 655.34]	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			2.85980e+01
Coefficient B			1.10174e+00
Coefficient C			-5.58000e-04
Coefficient D			8.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.47	J/mol×K	273.00	Calculated Property
Cp,gas	352.21	J/mol×K	353.78	Calculated Property
Cp,gas	408.80	J/mol×K	434.56	Calculated Property
Cp,gas	459.53	J/mol×K	515.33	Calculated Property
Cp,gas	504.65	J/mol×K	596.11	Calculated Property
Cp,gas	544.43	J/mol×K	676.89	Calculated Property
Cp,gas	579.13	J/mol×K	757.67	Calculated Property
Cp,gas	609.00	J/mol×K	838.44	Calculated Property
Cp,gas	634.32	J/mol×K	919.22	Calculated Property
Cp,gas	655.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058487; 0.0002132]	Pa×s	[282.25; 521.14]	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			-1.23664e+01
Coefficient B			2.03922e+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.			282.25
Temperature range, max.			521.14
η	0.0058487	Pa×s	282.25	Calculated Property
η	0.0031430	Pa×s	308.79	Calculated Property
η	0.0018635	Pa×s	335.34	Calculated Property
η	0.0011929	Pa×s	361.88	Calculated Property
η	0.0008117	Pa×s	388.43	Calculated Property
η	0.0005801	Pa×s	414.97	Calculated Property
η	0.0004317	Pa×s	441.51	Calculated Property
η	0.0003322	Pa×s	468.06	Calculated Property
η	0.0002630	Pa×s	494.60	Calculated Property
η	0.0002132	Pa×s	521.14	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyric acid, 8-chlorooctyl ester.

Sources

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

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