Chemical Properties of Valeric acid, pentadecyl ester (CAS 125164-53-6)

InChI

InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22-20(21)18-6-4-2/h3-19H2,1-2H3

InChI Key

ZDYLNFIQQYOUMX-UHFFFAOYSA-N

Formula

C20H40O2

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCC

Molecular Weight¹

312.53

CAS

125164-53-6

• 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	[446.09; 1059.26]	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			1.01170e+01
Coefficient B			1.84904e+00
Coefficient C			-9.69600e-04
Coefficient D			1.69700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	446.09	J/mol×K	273.00	Calculated Property
Cp,gas	550.43	J/mol×K	353.78	Calculated Property
Cp,gas	644.46	J/mol×K	434.56	Calculated Property
Cp,gas	728.72	J/mol×K	515.33	Calculated Property
Cp,gas	803.75	J/mol×K	596.11	Calculated Property
Cp,gas	870.09	J/mol×K	676.89	Calculated Property
Cp,gas	928.28	J/mol×K	757.67	Calculated Property
Cp,gas	978.84	J/mol×K	838.44	Calculated Property
Cp,gas	1022.32	J/mol×K	919.22	Calculated Property
Cp,gas	1059.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024348; 0.0001153]	Pa×s	[357.49; 618.57]	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			-1.32443e+01
Coefficient B			2.58336e+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.			357.49
Temperature range, max.			618.57
η	0.0024348	Pa×s	357.49	Calculated Property
η	0.0014155	Pa×s	386.50	Calculated Property
η	0.0008877	Pa×s	415.51	Calculated Property
η	0.0005916	Pa×s	444.52	Calculated Property
η	0.0004144	Pa×s	473.53	Calculated Property
η	0.0003024	Pa×s	502.54	Calculated Property
η	0.0002285	Pa×s	531.54	Calculated Property
η	0.0001777	Pa×s	560.55	Calculated Property
η	0.0001416	Pa×s	589.56	Calculated Property
η	0.0001153	Pa×s	618.57	Calculated Property

Similar Compounds

Find more compounds similar to Valeric acid, pentadecyl ester.

Sources

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

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