Chemical Properties of Benzeneacetaldehyde, «alpha»-ethylidene- (CAS 4411-89-6)

InChI

InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2+

InChI Key

DYAOGZLLMZQVHY-XNWCZRBMSA-N

Formula

C10H10O

SMILES

CC=C(C=O)c1ccccc1

Molecular Weight¹

146.19

CAS

4411-89-6

Other Names

• «alpha»-Ethylidenbenzeneacetaldehyde
• «alpha»-Ethylidenebenzeneacetaldehyde
• «alpha»-Ethylidene-phenylacetaldehyde
• 2-Butenal, 2-phenyl
• 2-Phenyl-2-buten-1-al
• 2-Phenyl-2-butenal
• 2-Phenylacetaldehyde, «alpha»-ethylidene
• 2-Phenylbut-2-enal
• Benzeneacetaldehyde, a-ethylidene-
• 2-phenylcrotonaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	117.88	kJ/mol	Joback Calculated Property
ΔfH°gas	8.65	kJ/mol	Joback Calculated Property
ΔfusH°	16.88	kJ/mol	Joback Calculated Property
ΔvapH°	46.89	kJ/mol	Joback Calculated Property
log10WS	-2.41		Crippen Calculated Property
logPoct/wat	2.289		Crippen Calculated Property
McVol	125.270	ml/mol	McGowan Calculated Property
Pc	3395.98	kPa	Joback Calculated Property
Inp	[1232.00; 1310.00]
Inp	1281.00		NIST
Inp	1287.00		NIST
Inp	1274.40		NIST
Inp	1273.00		NIST
Inp	1268.00		NIST
Inp	1291.00		NIST
Inp	1240.00		NIST
Inp	1265.00		NIST
Inp	1232.00		NIST
Inp	1233.00		NIST
Inp	1233.00		NIST
Inp	1234.00		NIST
Inp	1310.00		NIST
Inp	1283.00		NIST
Inp	1237.00		NIST
Inp	1242.00		NIST
Inp	1276.00		NIST
Inp	1279.00		NIST
I	[1896.00; 1972.00]
I	1911.00		NIST
I	1932.00		NIST
I	1906.00		NIST
I	1939.00		NIST
I	1939.00		NIST
I	1939.00		NIST
I	1922.00		NIST
I	1922.00		NIST
I	1913.00		NIST
I	1907.00		NIST
I	Outlier 1972.00		NIST
I	1961.00		NIST
I	1896.00		NIST
I	1939.00		NIST
I	1947.00		NIST
I	1910.00		NIST
I	1933.00		NIST
I	1916.00		NIST
Tboil	507.58	K	Joback Calculated Property
Tc	731.50	K	Joback Calculated Property
Tfus	251.84	K	Joback Calculated Property
Vc	0.485	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.82; 326.56]	J/mol×K	[507.58; 731.50]
Cp,gas	259.82	J/mol×K	507.58	Joback Calculated Property
Cp,gas	273.09	J/mol×K	544.90	Joback Calculated Property
Cp,gas	285.43	J/mol×K	582.22	Joback Calculated Property
Cp,gas	296.89	J/mol×K	619.54	Joback Calculated Property
Cp,gas	307.53	J/mol×K	656.86	Joback Calculated Property
Cp,gas	317.40	J/mol×K	694.18	Joback Calculated Property
Cp,gas	326.56	J/mol×K	731.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetaldehyde, «alpha»-ethylidene-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.