Chemical Properties of (E)-2-Hexenyl 2-methylbutyrate

InChI

InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+

InChI Key

SXJKRFLZGRFPBD-BQYQJAHWSA-N

Formula

C11H20O2

SMILES

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

Molecular Weight¹

184.28

• 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).
• 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

Property	Value	Unit	Source
ΔfH°gas	-520.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.29	kJ/mol	Joback Calculated Property
ΔvapH°	58.73	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.932		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Inp	1238.00		NIST
I	[1470.00; 1470.00]
I	1470.00		NIST
I	1470.00		NIST
Tboil	456.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[240.85; 564.89]	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			2.43400e+00
Coefficient B			1.01996e+00
Coefficient C			-5.67000e-04
Coefficient D			1.09500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.85	J/mol×K	273.00	Calculated Property
Cp,gas	297.16	J/mol×K	353.78	Calculated Property
Cp,gas	347.58	J/mol×K	434.56	Calculated Property
Cp,gas	392.46	J/mol×K	515.33	Calculated Property
Cp,gas	432.16	J/mol×K	596.11	Calculated Property
Cp,gas	467.01	J/mol×K	676.89	Calculated Property
Cp,gas	497.36	J/mol×K	757.67	Calculated Property
Cp,gas	523.56	J/mol×K	838.44	Calculated Property
Cp,gas	545.96	J/mol×K	919.22	Calculated Property
Cp,gas	564.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083479; 0.0001861]	Pa×s	[235.98; 484.45]	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			-1.22015e+01
Coefficient B			1.74998e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			235.98
Temperature range, max.			484.45
η	0.0083479	Pa×s	235.98	Calculated Property
η	0.0038392	Pa×s	263.59	Calculated Property
η	0.0020459	Pa×s	291.20	Calculated Property
η	0.0012158	Pa×s	318.80	Calculated Property
η	0.0007850	Pa×s	346.41	Calculated Property
η	0.0005407	Pa×s	374.02	Calculated Property
η	0.0003920	Pa×s	401.63	Calculated Property
η	0.0002962	Pa×s	429.24	Calculated Property
η	0.0002315	Pa×s	456.85	Calculated Property
η	0.0001861	Pa×s	484.45	Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-Hexenyl 2-methylbutyrate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.