Chemical Properties of 2,2,3-Trimethyl-4-pentenal

InChI

InChI=1S/C8H14O/c1-5-7(2)8(3,4)6-9/h5-7H,1H2,2-4H3

InChI Key

CGJMHDFLIGBWTA-UHFFFAOYSA-N

Formula

C8H14O

SMILES

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

Molecular Weight¹

126.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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, Enthalpy of formation at standard conditions, 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	[168.52; 396.33]	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			-2.21300e+01
Coefficient B			8.50060e-01
Coefficient C			-6.02300e-04
Coefficient D			1.70700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.52	J/mol×K	273.00	Calculated Property
Cp,gas	210.78	J/mol×K	353.78	Calculated Property
Cp,gas	247.54	J/mol×K	434.56	Calculated Property
Cp,gas	279.34	J/mol×K	515.33	Calculated Property
Cp,gas	306.73	J/mol×K	596.11	Calculated Property
Cp,gas	330.25	J/mol×K	676.89	Calculated Property
Cp,gas	350.42	J/mol×K	757.67	Calculated Property
Cp,gas	367.80	J/mol×K	838.44	Calculated Property
Cp,gas	382.92	J/mol×K	919.22	Calculated Property
Cp,gas	396.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0117759; 0.0003025]	Pa×s	[207.58; 429.97]	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			-1.15211e+01
Coefficient B			1.46955e+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.			207.58
Temperature range, max.			429.97
η	0.0117759	Pa×s	207.58	Calculated Property
η	0.0055454	Pa×s	232.29	Calculated Property
η	0.0030183	Pa×s	257.00	Calculated Property
η	0.0018278	Pa×s	281.71	Calculated Property
η	0.0012002	Pa×s	306.42	Calculated Property
η	0.0008391	Pa×s	331.13	Calculated Property
η	0.0006166	Pa×s	355.84	Calculated Property
η	0.0004715	Pa×s	380.55	Calculated Property
η	0.0003726	Pa×s	405.26	Calculated Property
η	0.0003025	Pa×s	429.97	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3-Trimethyl-4-pentenal.

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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