Chemical Properties of 3-Cyclohexene-1-acetaldehyde

InChI

InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2

InChI Key

UPVGDGITFOERJA-UHFFFAOYSA-N

Formula

C8H12O

SMILES

O=CCC1CC=CCC1

Molecular Weight¹

124.18

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[135.51; 376.61]	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			-5.08090e+01
Coefficient B			8.04400e-01
Coefficient C			-4.72680e-04
Coefficient D			9.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.51	J/mol×K	273.00	Calculated Property
Cp,gas	178.85	J/mol×K	353.78	Calculated Property
Cp,gas	217.34	J/mol×K	434.56	Calculated Property
Cp,gas	251.29	J/mol×K	515.33	Calculated Property
Cp,gas	281.01	J/mol×K	596.11	Calculated Property
Cp,gas	306.79	J/mol×K	676.89	Calculated Property
Cp,gas	328.94	J/mol×K	757.67	Calculated Property
Cp,gas	347.75	J/mol×K	838.44	Calculated Property
Cp,gas	363.54	J/mol×K	919.22	Calculated Property
Cp,gas	376.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052247; 0.0003168]	Pa×s	[230.06; 461.86]	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			-1.08392e+01
Coefficient B			1.28486e+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.			230.06
Temperature range, max.			461.86
η	0.0052247	Pa×s	230.06	Calculated Property
η	0.0029776	Pa×s	255.82	Calculated Property
η	0.0018808	Pa×s	281.57	Calculated Property
η	0.0012831	Pa×s	307.33	Calculated Property
η	0.0009287	Pa×s	333.08	Calculated Property
η	0.0007041	Pa×s	358.84	Calculated Property
η	0.0005540	Pa×s	384.59	Calculated Property
η	0.0004492	Pa×s	410.35	Calculated Property
η	0.0003733	Pa×s	436.10	Calculated Property
η	0.0003168	Pa×s	461.86	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclohexene-1-acetaldehyde.

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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