Chemical Properties of Propylcinnamic aldehyde

InChI

InChI=1S/C12H14O/c1-2-6-12(10-13)9-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3/b12-9+

InChI Key

FMWHWCCEBSGQQV-FMIVXFBMSA-N

Formula

C12H14O

SMILES

CCCC(C=O)=Cc1ccccc1

Molecular Weight¹

174.24

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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	[193.85; 479.82]	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			-4.43980e+01
Coefficient B			1.05932e+00
Coefficient C			-7.39300e-04
Coefficient D			2.04200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.85	J/mol×K	273.00	Calculated Property
Cp,gas	246.88	J/mol×K	353.78	Calculated Property
Cp,gas	293.08	J/mol×K	434.56	Calculated Property
Cp,gas	333.12	J/mol×K	515.33	Calculated Property
Cp,gas	367.62	J/mol×K	596.11	Calculated Property
Cp,gas	397.24	J/mol×K	676.89	Calculated Property
Cp,gas	422.63	J/mol×K	757.67	Calculated Property
Cp,gas	444.42	J/mol×K	838.44	Calculated Property
Cp,gas	463.27	J/mol×K	919.22	Calculated Property
Cp,gas	479.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propylcinnamic aldehyde.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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