Chemical Properties of 4-ETHYL-2-HEXYNAL

InChI

InChI=1S/C8H12O/c1-3-8(4-2)6-5-7-9/h7-8H,3-4H2,1-2H3

InChI Key

XZYAPQCJDYFPBN-UHFFFAOYSA-N

Formula

C8H12O

SMILES

CCC(C#CC=O)CC

Molecular Weight¹

124.18

Other Names

• Hex-2-ynal, 4-ethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[162.89; 362.25]	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			2.28920e+01
Coefficient B			5.94440e-01
Coefficient C			-3.15460e-04
Coefficient D			6.03800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.89	J/mol×K	273.00	Calculated Property
Cp,gas	196.38	J/mol×K	353.78	Calculated Property
Cp,gas	226.59	J/mol×K	434.56	Calculated Property
Cp,gas	253.71	J/mol×K	515.33	Calculated Property
Cp,gas	277.94	J/mol×K	596.11	Calculated Property
Cp,gas	299.45	J/mol×K	676.89	Calculated Property
Cp,gas	318.45	J/mol×K	757.67	Calculated Property
Cp,gas	335.12	J/mol×K	838.44	Calculated Property
Cp,gas	349.66	J/mol×K	919.22	Calculated Property
Cp,gas	362.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-ETHYL-2-HEXYNAL.

Sources

• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.