Chemical Properties of Valeric acid, hexadecyl ester

InChI

InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21(22)19-6-4-2/h3-20H2,1-2H3

InChI Key

OSIFZWLCMRYWEE-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC

Molecular Weight¹

326.56

• 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	[467.31; 1110.85]	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			9.20800e+00
Coefficient B			1.94404e+00
Coefficient C			-1.02400e-03
Coefficient D			1.81600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	467.31	J/mol×K	273.00	Calculated Property
Cp,gas	576.84	J/mol×K	353.78	Calculated Property
Cp,gas	675.53	J/mol×K	434.56	Calculated Property
Cp,gas	763.95	J/mol×K	515.33	Calculated Property
Cp,gas	842.66	J/mol×K	596.11	Calculated Property
Cp,gas	912.25	J/mol×K	676.89	Calculated Property
Cp,gas	973.29	J/mol×K	757.67	Calculated Property
Cp,gas	1026.35	J/mol×K	838.44	Calculated Property
Cp,gas	1072.02	J/mol×K	919.22	Calculated Property
Cp,gas	1110.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021582; 0.0001020]	Pa×s	[368.76; 636.11]	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			-1.33994e+01
Coefficient B			2.67752e+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.			368.76
Temperature range, max.			636.11
η	0.0021582	Pa×s	368.76	Calculated Property
η	0.0012560	Pa×s	398.47	Calculated Property
η	0.0007880	Pa×s	428.17	Calculated Property
η	0.0005252	Pa×s	457.88	Calculated Property
η	0.0003678	Pa×s	487.58	Calculated Property
η	0.0002683	Pa×s	517.29	Calculated Property
η	0.0002026	Pa×s	547.00	Calculated Property
η	0.0001574	Pa×s	576.70	Calculated Property
η	0.0001254	Pa×s	606.41	Calculated Property
η	0.0001020	Pa×s	636.11	Calculated Property

Similar Compounds

Find more compounds similar to Valeric acid, hexadecyl ester.

Sources

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

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