Chemical Properties of Octadecanoic acid, 9,10-dibromo-, methyl ester

InChI

InChI=1S/C19H36Br2O2/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

QNMTXFWVHQDSNR-UHFFFAOYSA-N

Formula

C19H36Br2O2

SMILES

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

Molecular Weight¹

456.30

Other Names

• Methyl 9,10-dibromostearate
• 9,10-Dibromostearic acid methyl ester
• Methyl 9,10-dibromooctadecanoate

• 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	[452.22; 1026.88]	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			2.40440e+01
Coefficient B			1.84224e+00
Coefficient C			-1.06440e-03
Coefficient D			2.25000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.22	J/mol×K	273.00	Calculated Property
Cp,gas	552.53	J/mol×K	353.78	Calculated Property
Cp,gas	642.06	J/mol×K	434.56	Calculated Property
Cp,gas	721.53	J/mol×K	515.33	Calculated Property
Cp,gas	791.65	J/mol×K	596.11	Calculated Property
Cp,gas	853.13	J/mol×K	676.89	Calculated Property
Cp,gas	906.68	J/mol×K	757.67	Calculated Property
Cp,gas	953.02	J/mol×K	838.44	Calculated Property
Cp,gas	992.85	J/mol×K	919.22	Calculated Property
Cp,gas	1026.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011375; 0.0000699]	Pa×s	[435.82; 712.04]	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			-1.39708e+01
Coefficient B			3.13440e+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.			435.82
Temperature range, max.			712.04
η	0.0011375	Pa×s	435.82	Calculated Property
η	0.0007087	Pa×s	466.51	Calculated Property
η	0.0004681	Pa×s	497.20	Calculated Property
η	0.0003245	Pa×s	527.89	Calculated Property
η	0.0002342	Pa×s	558.58	Calculated Property
η	0.0001748	Pa×s	589.27	Calculated Property
η	0.0001343	Pa×s	619.97	Calculated Property
η	0.0001058	Pa×s	650.66	Calculated Property
η	0.0000852	Pa×s	681.35	Calculated Property
η	0.0000699	Pa×s	712.04	Calculated Property

Similar Compounds

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

Sources

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

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