Chemical Properties of 9,12-Octadecadienoic acid (Z,Z)-, phenylmethyl ester (CAS 47557-83-5)

InChI

InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3/b7-6-,10-9-

InChI Key

YDTIDQXHYVFIKB-HZJYTTRNSA-N

Formula

C25H38O2

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OCc1ccccc1

Molecular Weight¹

370.57

CAS

47557-83-5

Other Names

• Benzyl (9Z,12Z)-9,12-octadecadienoate
• Benzyl linoleate
• Dermol 618
• Linoleic acid, phenylmethyl ester

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-486.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.32	kJ/mol	Joback Calculated Property
ΔvapH°	115.88	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.91		Relay (1.0) Calculated Property
logPoct/wat	7.543		Crippen Calculated Property
McVol	338.190	ml/mol	McGowan Calculated Property
Pc	990.13	kPa	Joback Calculated Property
Inp	[2764.50; 2764.50]
Inp	2764.50		NIST
Inp	2764.50		NIST
Tboil	652.21	K	Relay (1.0) Calculated Property
Tc	859.71	K	Relay (1.0) Calculated Property
Tfus	279.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1068.29; 1165.30]	J/mol×K	[864.82; 1064.76]
Cp,gas	1068.29	J/mol×K	864.82	Joback Calculated Property
Cp,gas	1086.96	J/mol×K	898.14	Joback Calculated Property
Cp,gas	1104.54	J/mol×K	931.47	Joback Calculated Property
Cp,gas	1121.08	J/mol×K	964.79	Joback Calculated Property
Cp,gas	1136.67	J/mol×K	998.11	Joback Calculated Property
Cp,gas	1151.38	J/mol×K	1031.43	Joback Calculated Property
Cp,gas	1165.30	J/mol×K	1064.76	Joback Calculated Property
η	[0.0000247; 0.0008616]	Pa×s	[430.10; 864.82]
η	0.0008616	Pa×s	430.10	Joback Calculated Property
η	0.0003110	Pa×s	502.55	Joback Calculated Property
η	0.0001451	Pa×s	575.01	Joback Calculated Property
η	0.0000803	Pa×s	647.46	Joback Calculated Property
η	0.0000501	Pa×s	719.91	Joback Calculated Property
η	0.0000340	Pa×s	792.37	Joback Calculated Property
η	0.0000247	Pa×s	864.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,12-Octadecadienoic acid (Z,Z)-, phenylmethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.