Chemical Properties of Octadeca-9,11-dienoic acid, 8-hydroxy-, methyl ester, trans, trans- (CAS 116595-30-3)

InChI

InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h8-9,12,15,18,20H,3-7,10-11,13-14,16-17H2,1-2H3/b9-8+,15-12+

InChI Key

PKCCKXHHIREXLL-BRBUPDJYSA-N

Formula

C19H34O3

SMILES

CCCCCCC=CC=CC(O)CCCCCCC(=O)OC

Molecular Weight¹

310.47

CAS

116595-30-3

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

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.06; 965.71]	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			-1.37290e+01
Coefficient B			1.83394e+00
Coefficient C			-1.11640e-03
Coefficient D			2.61900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	409.06	J/mol×K	273.00	Calculated Property
Cp,gas	506.95	J/mol×K	353.78	Calculated Property
Cp,gas	593.89	J/mol×K	434.56	Calculated Property
Cp,gas	670.72	J/mol×K	515.33	Calculated Property
Cp,gas	738.27	J/mol×K	596.11	Calculated Property
Cp,gas	797.36	J/mol×K	676.89	Calculated Property
Cp,gas	848.82	J/mol×K	757.67	Calculated Property
Cp,gas	893.48	J/mol×K	838.44	Calculated Property
Cp,gas	932.17	J/mol×K	919.22	Calculated Property
Cp,gas	965.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027420; 0.0000217]	Pa×s	[381.88; 681.89]	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			-1.68949e+01
Coefficient B			4.19909e+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.			381.88
Temperature range, max.			681.89
η	0.0027420	Pa×s	381.88	Calculated Property
η	0.0011342	Pa×s	415.21	Calculated Property
η	0.0005349	Pa×s	448.55	Calculated Property
η	0.0002799	Pa×s	481.88	Calculated Property
η	0.0001593	Pa×s	515.22	Calculated Property
η	0.0000971	Pa×s	548.55	Calculated Property
η	0.0000626	Pa×s	581.89	Calculated Property
η	0.0000423	Pa×s	615.22	Calculated Property
η	0.0000298	Pa×s	648.56	Calculated Property
η	0.0000217	Pa×s	681.89	Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,11-dienoic acid, 8-hydroxy-, methyl ester, trans, trans-.

Sources

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

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