Chemical Properties of hexadecyl lactate (CAS 35274-05-6)

InChI

InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20/h18,20H,3-17H2,1-2H3

InChI Key

WUKXMJCZWYUIRZ-UHFFFAOYSA-N

Formula

C19H38O3

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)O

Molecular Weight¹

314.50

CAS

35274-05-6

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.07; 1026.88]	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			1.46350e+01
Coefficient B			1.79394e+00
Coefficient C			-9.48800e-04
Coefficient D			1.67100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	437.07	J/mol×K	273.00	Calculated Property
Cp,gas	537.94	J/mol×K	353.78	Calculated Property
Cp,gas	628.74	J/mol×K	434.56	Calculated Property
Cp,gas	710.01	J/mol×K	515.33	Calculated Property
Cp,gas	782.26	J/mol×K	596.11	Calculated Property
Cp,gas	846.04	J/mol×K	676.89	Calculated Property
Cp,gas	901.86	J/mol×K	757.67	Calculated Property
Cp,gas	950.25	J/mol×K	838.44	Calculated Property
Cp,gas	991.75	J/mol×K	919.22	Calculated Property
Cp,gas	1026.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0413473; 0.0000304]	Pa×s	[314.00; 672.98]	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			-1.67100e+01
Coefficient B			4.24661e+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.			314.00
Temperature range, max.			672.98
η	0.0413473	Pa×s	314.00	Calculated Property
η	0.0090042	Pa×s	353.89	Calculated Property
η	0.0026703	Pa×s	393.77	Calculated Property
η	0.0009903	Pa×s	433.66	Calculated Property
η	0.0004341	Pa×s	473.55	Calculated Property
η	0.0002163	Pa×s	513.43	Calculated Property
η	0.0001191	Pa×s	553.32	Calculated Property
η	0.0000711	Pa×s	593.21	Calculated Property
η	0.0000453	Pa×s	633.09	Calculated Property
η	0.0000304	Pa×s	672.98	Calculated Property

Similar Compounds

Find more compounds similar to hexadecyl lactate.

Sources

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

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