Chemical Properties of Heptadecanoic acid, phenylmethyl ester (CAS 74978-19-1)

InChI

InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25)26-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3

InChI Key

XFIKDNCHPGLFLR-UHFFFAOYSA-N

Formula

C24H40O2

SMILES

CCCCCCCCCCCCCCCCC(=O)OCc1ccccc1

Molecular Weight¹

360.57

CAS

74978-19-1

Other Names

• Benzyl heptadecanoate

• 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	[473.69; 1147.10]	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			-2.74240e+01
Coefficient B			2.15012e+00
Coefficient C			-1.21840e-03
Coefficient D			2.42800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	473.69	J/mol×K	273.00	Calculated Property
Cp,gas	591.50	J/mol×K	353.78	Calculated Property
Cp,gas	696.77	J/mol×K	434.56	Calculated Property
Cp,gas	790.26	J/mol×K	515.33	Calculated Property
Cp,gas	872.76	J/mol×K	596.11	Calculated Property
Cp,gas	945.02	J/mol×K	676.89	Calculated Property
Cp,gas	1007.82	J/mol×K	757.67	Calculated Property
Cp,gas	1061.92	J/mol×K	838.44	Calculated Property
Cp,gas	1108.09	J/mol×K	919.22	Calculated Property
Cp,gas	1147.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011099; 0.0000670]	Pa×s	[428.99; 717.85]	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			-1.37813e+01
Coefficient B			2.99342e+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.			428.99
Temperature range, max.			717.85
η	0.0011099	Pa×s	428.99	Calculated Property
η	0.0006829	Pa×s	461.09	Calculated Property
η	0.0004476	Pa×s	493.18	Calculated Property
η	0.0003089	Pa×s	525.28	Calculated Property
η	0.0002225	Pa×s	557.37	Calculated Property
η	0.0001661	Pa×s	589.47	Calculated Property
η	0.0001278	Pa×s	621.57	Calculated Property
η	0.0001009	Pa×s	653.66	Calculated Property
η	0.0000814	Pa×s	685.76	Calculated Property
η	0.0000670	Pa×s	717.85	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecanoic acid, phenylmethyl ester.

Sources

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

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