Chemical Properties of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (Z,Z,Z)- (CAS 77509-02-5)

InChI

InChI=1S/C25H36O2/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/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-23H2,1H3/b4-3-,7-6-,10-9-

InChI Key

XOMBABWFKFXLII-PDBXOOCHSA-N

Formula

C25H36O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCc1ccccc1

Molecular Weight¹

368.55

CAS

77509-02-5

Other Names

• Benzyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
• Linolenic acid, phenylmethyl ester
• Benzyl linolenate

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	278.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.94	kJ/mol	Joback Calculated Property
ΔfusH°	57.94	kJ/mol	Joback Calculated Property
ΔvapH°	82.55	kJ/mol	Joback Calculated Property
log10WS	-8.31		Crippen Calculated Property
logPoct/wat	7.319		Crippen Calculated Property
McVol	333.890	ml/mol	McGowan Calculated Property
Pc	1050.73	kPa	Joback Calculated Property
Inp	[2702.00; 2774.90]
Inp	2702.00		NIST
Inp	2774.90		NIST
Tboil	886.85	K	Joback Calculated Property
Tc	1092.88	K	Joback Calculated Property
Tfus	454.85	K	Joback Calculated Property
Vc	1.292	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1049.54; 1146.73]	J/mol×K	[886.85; 1092.88]
Cp,gas	1049.54	J/mol×K	886.85	Joback Calculated Property
Cp,gas	1067.85	J/mol×K	921.19	Joback Calculated Property
Cp,gas	1085.18	J/mol×K	955.53	Joback Calculated Property
Cp,gas	1101.65	J/mol×K	989.87	Joback Calculated Property
Cp,gas	1117.33	J/mol×K	1024.21	Joback Calculated Property
Cp,gas	1132.33	J/mol×K	1058.54	Joback Calculated Property
Cp,gas	1146.73	J/mol×K	1092.88	Joback Calculated Property
η	[0.0000247; 0.0006100]	Pa×s	[454.85; 886.85]
η	0.0006100	Pa×s	454.85	Joback Calculated Property
η	0.0002480	Pa×s	526.85	Joback Calculated Property
η	0.0001252	Pa×s	598.85	Joback Calculated Property
η	0.0000732	Pa×s	670.85	Joback Calculated Property
η	0.0000475	Pa×s	742.85	Joback Calculated Property
η	0.0000333	Pa×s	814.85	Joback Calculated Property
η	0.0000247	Pa×s	886.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (Z,Z,Z)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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