Chemical Properties of Allyl 2-ethyl butyrate (CAS 7493-69-8)

InChI

InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3

InChI Key

NBKXNUWCFMZFMM-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

C=CCOC(=O)C(CC)CC

Molecular Weight¹

156.22

CAS

7493-69-8

Other Names

• Butanoic acid, 2-ethyl-, 2-propenyl ester
• Butyric acid, 2-ethyl-, allyl ester
• 2-Propenyl 2-ethylbutanoate
• Allyl 2-ethylbutanoate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[202.62; 463.78]	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			1.54430e+01
Coefficient B			7.89940e-01
Coefficient C			-3.97300e-04
Coefficient D			5.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.62	J/mol×K	273.00	Calculated Property
Cp,gas	247.65	J/mol×K	353.78	Calculated Property
Cp,gas	288.26	J/mol×K	434.56	Calculated Property
Cp,gas	324.64	J/mol×K	515.33	Calculated Property
Cp,gas	356.95	J/mol×K	596.11	Calculated Property
Cp,gas	385.38	J/mol×K	676.89	Calculated Property
Cp,gas	410.11	J/mol×K	757.67	Calculated Property
Cp,gas	431.30	J/mol×K	838.44	Calculated Property
Cp,gas	449.13	J/mol×K	919.22	Calculated Property
Cp,gas	463.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088076; 0.0002389]	Pa×s	[216.76; 446.34]	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			-1.17457e+01
Coefficient B			1.52026e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.76
Temperature range, max.			446.34
η	0.0088076	Pa×s	216.76	Calculated Property
η	0.0042086	Pa×s	242.27	Calculated Property
η	0.0023149	Pa×s	267.78	Calculated Property
η	0.0014128	Pa×s	293.29	Calculated Property
η	0.0009331	Pa×s	318.80	Calculated Property
η	0.0006554	Pa×s	344.31	Calculated Property
η	0.0004833	Pa×s	369.82	Calculated Property
η	0.0003707	Pa×s	395.32	Calculated Property
η	0.0002936	Pa×s	420.83	Calculated Property
η	0.0002389	Pa×s	446.34	Calculated Property

Similar Compounds

Find more compounds similar to Allyl 2-ethyl butyrate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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