Chemical Properties of 9-Octadecenoic, d-12-acetoxy-, (z), butyl ester (CAS 140-04-5)

InChI

InChI=1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-

InChI Key

BEWFIPLBFJGWSR-SSZFMOIBSA-N

Formula

C24H44O6

SMILES

CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)OC(C)=O

Molecular Weight¹

428.60

CAS

140-04-5

Other Names

• O-acetylricinoleic acid, butyl ester
• butyl O-acetylricinoleate

• 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).
• 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, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[532.97; 1243.69]	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			1.60260e+01
Coefficient B			2.20016e+00
Coefficient C			-1.17960e-03
Coefficient D			2.07100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	532.97	J/mol×K	273.00	Calculated Property
Cp,gas	655.93	J/mol×K	353.78	Calculated Property
Cp,gas	766.36	J/mol×K	434.56	Calculated Property
Cp,gas	864.92	J/mol×K	515.33	Calculated Property
Cp,gas	952.27	J/mol×K	596.11	Calculated Property
Cp,gas	1029.05	J/mol×K	676.89	Calculated Property
Cp,gas	1095.93	J/mol×K	757.67	Calculated Property
Cp,gas	1153.56	J/mol×K	838.44	Calculated Property
Cp,gas	1202.59	J/mol×K	919.22	Calculated Property
Cp,gas	1243.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010375; 0.0000346]	Pa×s	[424.82; 744.63]	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			-1.47890e+01
Coefficient B			3.36378e+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.			424.82
Temperature range, max.			744.63
η	0.0010375	Pa×s	424.82	Calculated Property
η	0.0005631	Pa×s	460.35	Calculated Property
η	0.0003336	Pa×s	495.89	Calculated Property
η	0.0002119	Pa×s	531.42	Calculated Property
η	0.0001425	Pa×s	566.96	Calculated Property
η	0.0001004	Pa×s	602.49	Calculated Property
η	0.0000736	Pa×s	638.02	Calculated Property
η	0.0000557	Pa×s	673.56	Calculated Property
η	0.0000434	Pa×s	709.09	Calculated Property
η	0.0000346	Pa×s	744.63	Calculated Property

Similar Compounds

Find more compounds similar to 9-Octadecenoic, d-12-acetoxy-, (z), butyl ester.

Sources

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

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