Chemical Properties of 1,3-Cyclohexadiene-1-carboxaldehyde

InChI

InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-2,4,6H,3,5H2

InChI Key

LQXUYPKOOOUVJB-UHFFFAOYSA-N

Formula

C7H8O

SMILES

O=CC1=CC=CCC1

Molecular Weight¹

108.14

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : 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
ΔfusH°	8.99	kJ/mol	Joback Calculated Property
logPoct/wat	1.462		Crippen Calculated Property
McVol	91.600	ml/mol	McGowan Calculated Property
Inp	1184.00		NIST
Ip	[1603.00; 1649.00]
Ip	1649.00		NIST
Ip	1603.00		NIST
Ip	1603.00		NIST
Tboil	449.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[108.11; 284.02]	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			-3.37600e+01
Coefficient B			6.20400e-01
Coefficient C			-3.93920e-04
Coefficient D			9.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.11	J/mol×K	273.00	Calculated Property
Cp,gas	140.46	J/mol×K	353.78	Calculated Property
Cp,gas	168.94	J/mol×K	434.56	Calculated Property
Cp,gas	193.84	J/mol×K	515.33	Calculated Property
Cp,gas	215.43	J/mol×K	596.11	Calculated Property
Cp,gas	234.01	J/mol×K	676.89	Calculated Property
Cp,gas	249.87	J/mol×K	757.67	Calculated Property
Cp,gas	263.30	J/mol×K	838.44	Calculated Property
Cp,gas	274.59	J/mol×K	919.22	Calculated Property
Cp,gas	284.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038609; 0.0002762]	Pa×s	[236.31; 456.79]	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			-1.10216e+01
Coefficient B			1.29137e+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.			236.31
Temperature range, max.			456.79
η	0.0038609	Pa×s	236.31	Calculated Property
η	0.0023108	Pa×s	260.81	Calculated Property
η	0.0015105	Pa×s	285.31	Calculated Property
η	0.0010560	Pa×s	309.80	Calculated Property
η	0.0007781	Pa×s	334.30	Calculated Property
η	0.0005977	Pa×s	358.80	Calculated Property
η	0.0004749	Pa×s	383.30	Calculated Property
η	0.0003879	Pa×s	407.80	Calculated Property
η	0.0003241	Pa×s	432.30	Calculated Property
η	0.0002762	Pa×s	456.79	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexadiene-1-carboxaldehyde.

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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