Chemical Properties of Decanoic acid, 2-methyl, methyl ester (CAS 29619-64-5)

InChI

InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-11(2)12(13)14-3/h11H,4-10H2,1-3H3

InChI Key

ZWSMRUGTQTWTII-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCCCCCCC(C)C(=O)OC

Molecular Weight¹

200.32

CAS

29619-64-5

Other Names

• Methyl 2-methyldecanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.07; 647.07]	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			1.57070e+01
Coefficient B			1.09496e+00
Coefficient C			-5.37600e-04
Coefficient D			7.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.07	J/mol×K	273.00	Calculated Property
Cp,gas	339.07	J/mol×K	353.78	Calculated Property
Cp,gas	396.08	J/mol×K	434.56	Calculated Property
Cp,gas	447.33	J/mol×K	515.33	Calculated Property
Cp,gas	493.06	J/mol×K	596.11	Calculated Property
Cp,gas	533.51	J/mol×K	676.89	Calculated Property
Cp,gas	568.89	J/mol×K	757.67	Calculated Property
Cp,gas	599.46	J/mol×K	838.44	Calculated Property
Cp,gas	625.44	J/mol×K	919.22	Calculated Property
Cp,gas	647.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079988; 0.0002180]	Pa×s	[252.33; 491.52]	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			-1.22311e+01
Coefficient B			1.86790e+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.			252.33
Temperature range, max.			491.52
η	0.0079988	Pa×s	252.33	Calculated Property
η	0.0039507	Pa×s	278.91	Calculated Property
η	0.0022062	Pa×s	305.48	Calculated Property
η	0.0013524	Pa×s	332.06	Calculated Property
η	0.0008914	Pa×s	358.64	Calculated Property
η	0.0006223	Pa×s	385.21	Calculated Property
η	0.0004551	Pa×s	411.79	Calculated Property
η	0.0003457	Pa×s	438.37	Calculated Property
η	0.0002709	Pa×s	464.94	Calculated Property
η	0.0002180	Pa×s	491.52	Calculated Property

Similar Compounds

Find more compounds similar to Decanoic acid, 2-methyl, methyl ester.

Sources

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

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