Chemical Properties of Octadecanoic acid, 9,10-dichloro-, methyl ester (CAS 33094-27-8)

InChI

InChI=1S/C19H36Cl2O2/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18H,3-16H2,1-2H3

InChI Key

KYPMPURXQCFWCJ-UHFFFAOYSA-N

Formula

C19H36Cl2O2

SMILES

CCCCCCCCC(Cl)C(Cl)CCCCCCCC(=O)OC

Molecular Weight¹

367.39

CAS

33094-27-8

Other Names

• Methyl 9,10-dichlorooctadecanoate

• 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).
• 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	[451.06; 1025.28]	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			3.34440e+01
Coefficient B			1.77944e+00
Coefficient C			-9.62400e-04
Coefficient D			1.74800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	451.06	J/mol×K	273.00	Calculated Property
Cp,gas	550.26	J/mol×K	353.78	Calculated Property
Cp,gas	639.32	J/mol×K	434.56	Calculated Property
Cp,gas	718.79	J/mol×K	515.33	Calculated Property
Cp,gas	789.23	J/mol×K	596.11	Calculated Property
Cp,gas	851.19	J/mol×K	676.89	Calculated Property
Cp,gas	905.22	J/mol×K	757.67	Calculated Property
Cp,gas	951.88	J/mol×K	838.44	Calculated Property
Cp,gas	991.72	J/mol×K	919.22	Calculated Property
Cp,gas	1025.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024587; 0.0000865]	Pa×s	[376.06; 663.16]	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			-1.37395e+01
Coefficient B			2.90748e+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.			376.06
Temperature range, max.			663.16
η	0.0024587	Pa×s	376.06	Calculated Property
η	0.0013432	Pa×s	407.96	Calculated Property
η	0.0008011	Pa×s	439.86	Calculated Property
η	0.0005123	Pa×s	471.76	Calculated Property
η	0.0003468	Pa×s	503.66	Calculated Property
η	0.0002459	Pa×s	535.56	Calculated Property
η	0.0001812	Pa×s	567.46	Calculated Property
η	0.0001380	Pa×s	599.36	Calculated Property
η	0.0001080	Pa×s	631.26	Calculated Property
η	0.0000865	Pa×s	663.16	Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 9,10-dichloro-, methyl ester.

Sources

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

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