Chemical Properties of 10-Undecenoic acid, 3-methylbutyl ester (CAS 10214-27-4)

InChI

InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3

InChI Key

DMSGZRWAESVGIP-UHFFFAOYSA-N

Formula

C16H30O2

SMILES

C=CCCCCCCCCC(=O)OCCC(C)C

Molecular Weight¹

254.41

CAS

10214-27-4

Other Names

• iso-Amyl 10-undecenoate
• Isopentyl 10-undecenoate
• isopentyl undec-10-enoate

• 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.
• I_p : 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	-601.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.76	kJ/mol	Joback Calculated Property
ΔvapH°	77.69	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) Calculated Property
logPoct/wat	4.883		Crippen Calculated Property
McVol	239.440	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[1717.00; 1717.00]
Inp	1717.00		NIST
Inp	1717.00		NIST
Ip	[2000.00; 2000.00]
Ip	2000.00		NIST
Ip	2000.00		NIST
Tboil	567.81	K	Relay (1.0) Calculated Property
Tc	737.03	K	Relay (1.0) Calculated Property
Tfus	242.72	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	[351.12; 824.92]	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			9.08000e+00
Coefficient B			1.45494e+00
Coefficient C			-7.78100e-04
Coefficient D			1.39000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.12	J/mol×K	273.00	Calculated Property
Cp,gas	432.57	J/mol×K	353.78	Calculated Property
Cp,gas	505.80	J/mol×K	434.56	Calculated Property
Cp,gas	571.24	J/mol×K	515.33	Calculated Property
Cp,gas	629.33	J/mol×K	596.11	Calculated Property
Cp,gas	680.51	J/mol×K	676.89	Calculated Property
Cp,gas	725.22	J/mol×K	757.67	Calculated Property
Cp,gas	763.90	J/mol×K	838.44	Calculated Property
Cp,gas	796.99	J/mol×K	919.22	Calculated Property
Cp,gas	824.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050947; 0.0001654]	Pa×s	[295.65; 552.56]	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			-1.26510e+01
Coefficient B			2.17938e+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.			295.65
Temperature range, max.			552.56
η	0.0050947	Pa×s	295.65	Calculated Property
η	0.0026622	Pa×s	324.20	Calculated Property
η	0.0015452	Pa×s	352.74	Calculated Property
η	0.0009730	Pa×s	381.29	Calculated Property
η	0.0006534	Pa×s	409.83	Calculated Property
η	0.0004622	Pa×s	438.38	Calculated Property
η	0.0003411	Pa×s	466.92	Calculated Property
η	0.0002606	Pa×s	495.47	Calculated Property
η	0.0002051	Pa×s	524.01	Calculated Property
η	0.0001654	Pa×s	552.56	Calculated Property

Similar Compounds

Find more compounds similar to 10-Undecenoic acid, 3-methylbutyl ester.

Sources

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

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