Chemical Properties of Oxiraneundecanoic acid, 3-pentyl-, methyl ester, cis- (CAS 38520-30-8)

InChI

InChI=1S/C19H36O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18+/m1/s1

InChI Key

CJIHQKTUUVMNSU-MSOLQXFVSA-N

Formula

C19H36O3

SMILES

CCCCCC1OC1CCCCCCCCCCC(=O)OC

Molecular Weight¹

312.49

CAS

38520-30-8

Other Names

• Methyl 11-(3-pentyl-2-oxiranyl)undecanoate, cis-

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.06; 1013.58]	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			-1.59560e+01
Coefficient B			1.87544e+00
Coefficient C			-1.06610e-03
Coefficient D			2.20200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.06	J/mol×K	273.00	Calculated Property
Cp,gas	523.85	J/mol×K	353.78	Calculated Property
Cp,gas	615.78	J/mol×K	434.56	Calculated Property
Cp,gas	697.53	J/mol×K	515.33	Calculated Property
Cp,gas	769.82	J/mol×K	596.11	Calculated Property
Cp,gas	833.34	J/mol×K	676.89	Calculated Property
Cp,gas	888.77	J/mol×K	757.67	Calculated Property
Cp,gas	936.83	J/mol×K	838.44	Calculated Property
Cp,gas	978.20	J/mol×K	919.22	Calculated Property
Cp,gas	1013.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023663; 0.0003404]	Pa×s	[386.49; 627.23]	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			-1.10984e+01
Coefficient B			1.95254e+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.			386.49
Temperature range, max.			627.23
η	0.0023663	Pa×s	386.49	Calculated Property
η	0.0017063	Pa×s	413.24	Calculated Property
η	0.0012802	Pa×s	439.99	Calculated Property
η	0.0009927	Pa×s	466.74	Calculated Property
η	0.0007913	Pa×s	493.49	Calculated Property
η	0.0006457	Pa×s	520.24	Calculated Property
η	0.0005374	Pa×s	546.98	Calculated Property
η	0.0004550	Pa×s	573.73	Calculated Property
η	0.0003910	Pa×s	600.48	Calculated Property
η	0.0003404	Pa×s	627.23	Calculated Property

Similar Compounds

Find more compounds similar to Oxiraneundecanoic acid, 3-pentyl-, methyl ester, cis-.

Sources

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

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