Chemical Properties of methyl 18-methylnonadecanoate (CAS 65301-91-9)

InChI

InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23-3/h20H,4-19H2,1-3H3

InChI Key

IVHQIMJNEKWLSS-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

COC(=O)CCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

326.56

CAS

65301-91-9

• 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	[466.99; 1111.39]	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			7.52600e+00
Coefficient B			1.94996e+00
Coefficient C			-1.02720e-03
Coefficient D			1.81100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	466.99	J/mol×K	273.00	Calculated Property
Cp,gas	576.83	J/mol×K	353.78	Calculated Property
Cp,gas	675.78	J/mol×K	434.56	Calculated Property
Cp,gas	764.40	J/mol×K	515.33	Calculated Property
Cp,gas	843.27	J/mol×K	596.11	Calculated Property
Cp,gas	912.96	J/mol×K	676.89	Calculated Property
Cp,gas	974.04	J/mol×K	757.67	Calculated Property
Cp,gas	1027.09	J/mol×K	838.44	Calculated Property
Cp,gas	1072.68	J/mol×K	919.22	Calculated Property
Cp,gas	1111.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028578; 0.0000944]	Pa×s	[353.76; 636.53]	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			-1.35334e+01
Coefficient B			2.71534e+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.			353.76
Temperature range, max.			636.53
η	0.0028578	Pa×s	353.76	Calculated Property
η	0.0015280	Pa×s	385.18	Calculated Property
η	0.0008979	Pa×s	416.60	Calculated Property
η	0.0005685	Pa×s	448.02	Calculated Property
η	0.0003821	Pa×s	479.44	Calculated Property
η	0.0002697	Pa×s	510.85	Calculated Property
η	0.0001982	Pa×s	542.27	Calculated Property
η	0.0001507	Pa×s	573.69	Calculated Property
η	0.0001179	Pa×s	605.11	Calculated Property
η	0.0000944	Pa×s	636.53	Calculated Property

Similar Compounds

Find more compounds similar to methyl 18-methylnonadecanoate.

Sources

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

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