Chemical Properties of BENZENEACETALDEHYDE, .ALPHA.-(2-METHYLPROPYLIDENE)-

InChI

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

InChI Key

ULRYRAHIBWLZKC-XYOKQWHBSA-N

Formula

C12H14O

SMILES

CC(C)/C=C(\C=O)c1ccccc1

Molecular Weight¹

174.24

Other Names

• 4-Methyl-2-phenyl-2-pentenal
• 2-Pentenal, 4-methyl-2-phenyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : 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°	18.54	kJ/mol	Joback Calculated Property
logPoct/wat	2.925		Crippen Calculated Property
McVol	153.450	ml/mol	McGowan Calculated Property
Inp	1383.00		NIST
I	[1920.00; 1932.00]
I	1932.00		NIST
I	1920.00		NIST
I	1920.00		NIST
Tboil	514.26	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.34; 428.05]	J/mol×K	[552.90; 774.00]
Cp,gas	350.34	J/mol×K	552.90	Joback Calculated Property
Cp,gas	365.68	J/mol×K	589.75	Joback Calculated Property
Cp,gas	379.99	J/mol×K	626.60	Joback Calculated Property
Cp,gas	393.32	J/mol×K	663.45	Joback Calculated Property
Cp,gas	405.73	J/mol×K	700.30	Joback Calculated Property
Cp,gas	417.29	J/mol×K	737.15	Joback Calculated Property
Cp,gas	428.05	J/mol×K	774.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to BENZENEACETALDEHYDE, .ALPHA.-(2-METHYLPROPYLIDENE)-.

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.