Chemical Properties of Pentyl 10-undecenoate (CAS 18451-96-2)

InChI

InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3H,1,4-15H2,2H3

InChI Key

UODPTRHAWGAWQL-UHFFFAOYSA-N

Formula

C16H30O2

SMILES

C=CCCCCCCCCC(=O)OCCCCC

Molecular Weight¹

254.41

CAS

18451-96-2

Other Names

• 10-Undecenoic acid, pentyl ester
• pentyl undec-10-enoate

• ω : Acentric Factor.
• 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).
• 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.
• I : 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.43; 824.38]	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			1.07620e+01
Coefficient B			1.44902e+00
Coefficient C			-7.74900e-04
Coefficient D			1.39500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.43	J/mol×K	273.00	Calculated Property
Cp,gas	432.58	J/mol×K	353.78	Calculated Property
Cp,gas	505.56	J/mol×K	434.56	Calculated Property
Cp,gas	570.79	J/mol×K	515.33	Calculated Property
Cp,gas	628.73	J/mol×K	596.11	Calculated Property
Cp,gas	679.81	J/mol×K	676.89	Calculated Property
Cp,gas	724.47	J/mol×K	757.67	Calculated Property
Cp,gas	763.16	J/mol×K	838.44	Calculated Property
Cp,gas	796.32	J/mol×K	919.22	Calculated Property
Cp,gas	824.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036129; 0.0001784]	Pa×s	[310.65; 551.18]	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			-1.25170e+01
Coefficient B			2.14156e+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.			310.65
Temperature range, max.			551.18
η	0.0036129	Pa×s	310.65	Calculated Property
η	0.0020926	Pa×s	337.38	Calculated Property
η	0.0013132	Pa×s	364.10	Calculated Property
η	0.0008784	Pa×s	390.83	Calculated Property
η	0.0006185	Pa×s	417.55	Calculated Property
η	0.0004543	Pa×s	444.28	Calculated Property
η	0.0003456	Pa×s	471.00	Calculated Property
η	0.0002707	Pa×s	497.73	Calculated Property
η	0.0002174	Pa×s	524.45	Calculated Property
η	0.0001784	Pa×s	551.18	Calculated Property

Similar Compounds

Find more compounds similar to Pentyl 10-undecenoate.

Sources

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

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