Chemical Properties of Triacontanoic acid, methyl ester (CAS 629-83-4)

InChI

InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3

InChI Key

BIRUBGLRQLAEFF-UHFFFAOYSA-N

Formula

C31H62O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

466.82

CAS

629-83-4

Other Names

• Methyl melissate
• Methyl melissicate
• Methyl triacontanoate
• methyl triacontanate

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.45; 1626.76]	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			1.18000e-01
Coefficient B			2.89404e+00
Coefficient C			-1.56800e-03
Coefficient D			3.00600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	679.45	J/mol×K	273.00	Calculated Property
Cp,gas	841.03	J/mol×K	353.78	Calculated Property
Cp,gas	986.31	J/mol×K	434.56	Calculated Property
Cp,gas	1116.24	J/mol×K	515.33	Calculated Property
Cp,gas	1231.78	J/mol×K	596.11	Calculated Property
Cp,gas	1333.86	J/mol×K	676.89	Calculated Property
Cp,gas	1423.46	J/mol×K	757.67	Calculated Property
Cp,gas	1501.50	J/mol×K	838.44	Calculated Property
Cp,gas	1568.95	J/mol×K	919.22	Calculated Property
Cp,gas	1626.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005448; 0.0000215]	Pa×s	[481.46; 844.44]	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			-1.50320e+01
Coefficient B			3.61912e+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.			481.46
Temperature range, max.			844.44
η	0.0005448	Pa×s	481.46	Calculated Property
η	0.0003047	Pa×s	521.79	Calculated Property
η	0.0001853	Pa×s	562.12	Calculated Property
η	0.0001204	Pa×s	602.45	Calculated Property
η	0.0000826	Pa×s	642.79	Calculated Property
η	0.0000592	Pa×s	683.12	Calculated Property
η	0.0000441	Pa×s	723.45	Calculated Property
η	0.0000338	Pa×s	763.78	Calculated Property
η	0.0000267	Pa×s	804.11	Calculated Property
η	0.0000215	Pa×s	844.44	Calculated Property

Similar Compounds

Find more compounds similar to Triacontanoic acid, methyl ester.

Sources

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

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