Chemical Properties of ethyl (R)-12-hydroxyoleate (CAS 55066-53-0)

InChI

InChI=1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3/b14-11-/t19-/m0/s1

InChI Key

AZXVZUBIFYQWJK-RNUYOQPASA-N

Formula

C20H38O3

SMILES

CCCCCCC(O)CC=CCCCCCCCC(=O)OCC

Molecular Weight¹

326.51

CAS

55066-53-0

Other Names

• Ethyl ricinoleate

• 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	-890.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.69	kJ/mol	Joback Calculated Property
ΔvapH°	121.38	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	5.558		Crippen Calculated Property
McVol	301.670	ml/mol	McGowan Calculated Property
Pc	1125.32	kPa	Joback Calculated Property
Inp	[2371.00; 2371.00]
Inp	2371.00		NIST
Inp	2371.00		NIST
Tboil	618.71	K	Relay (1.0) Calculated Property
Tc	805.13	K	Relay (1.0) Calculated Property
Tfus	307.66	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.28; 1047.88]	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			-4.56000e-01
Coefficient B			1.90894e+00
Coefficient C			-1.08700e-03
Coefficient D			2.26400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	444.28	J/mol×K	273.00	Calculated Property
Cp,gas	548.86	J/mol×K	353.78	Calculated Property
Cp,gas	642.40	J/mol×K	434.56	Calculated Property
Cp,gas	725.60	J/mol×K	515.33	Calculated Property
Cp,gas	799.18	J/mol×K	596.11	Calculated Property
Cp,gas	863.86	J/mol×K	676.89	Calculated Property
Cp,gas	920.35	J/mol×K	757.67	Calculated Property
Cp,gas	969.38	J/mol×K	838.44	Calculated Property
Cp,gas	1011.65	J/mol×K	919.22	Calculated Property
Cp,gas	1047.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022050; 0.0000214]	Pa×s	[398.23; 695.84]	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			-1.69575e+01
Coefficient B			4.31701e+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.			398.23
Temperature range, max.			695.84
η	0.0022050	Pa×s	398.23	Calculated Property
η	0.0009604	Pa×s	431.30	Calculated Property
η	0.0004709	Pa×s	464.37	Calculated Property
η	0.0002538	Pa×s	497.43	Calculated Property
η	0.0001478	Pa×s	530.50	Calculated Property
η	0.0000917	Pa×s	563.57	Calculated Property
η	0.0000600	Pa×s	596.64	Calculated Property
η	0.0000410	Pa×s	629.71	Calculated Property
η	0.0000291	Pa×s	662.78	Calculated Property
η	0.0000214	Pa×s	695.84	Calculated Property

Similar Compounds

Find more compounds similar to ethyl (R)-12-hydroxyoleate.

Sources

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

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