Chemical Properties of 2-Propenal, 2-methyl-3-phenyl-

InChI

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

InChI Key

VLUMOWNVWOXZAU-VQHVLOKHSA-N

Formula

C10H10O

SMILES

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

Molecular Weight¹

146.19

Other Names

• Cinnamaldehyde, «alpha»-methyl-
• «alpha»-Methylcinnamaldehyde
• «alpha»-Methylcinnamic aldehyde
• 2-Methyl-3-phenylacrolein
• 2-Methyl-3-phenylacrylaldehyde
• «alpha»-Methylcinnimal
• Methyl cinnamic aldehyde
• 2-Methyl-3-phenyl-2-propenal
• Cinnamic aldehyde, «alpha»-methyl
• 2-Methyl-3-phenylpropenal
• 2-Methylcinnamaldehyde
• NSC 22283

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3820		Relay (1.0) Calculated Property
ΔfG°	117.88	kJ/mol	Joback Calculated Property
ΔfH°gas	2.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.88	kJ/mol	Joback Calculated Property
ΔvapH°	60.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) 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	[1309.00; 1330.00]
Inp	1309.00		NIST
Inp	1309.00		NIST
Inp	1309.00		NIST
Inp	1330.00		NIST
I	[1992.00; 1992.00]
I	1992.00		NIST
I	1992.00		NIST
I	1992.00		NIST
Tboil	517.14	K	Relay (1.0) Calculated Property
Tc	763.61	K	Relay (1.0) Calculated Property
Tfus	267.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.89; 326.63]	J/mol×K	[507.78; 731.79]
Cp,gas	259.89	J/mol×K	507.78	Joback Calculated Property
Cp,gas	273.17	J/mol×K	545.12	Joback Calculated Property
Cp,gas	285.51	J/mol×K	582.45	Joback Calculated Property
Cp,gas	296.97	J/mol×K	619.79	Joback Calculated Property
Cp,gas	307.60	J/mol×K	657.12	Joback Calculated Property
Cp,gas	317.47	J/mol×K	694.46	Joback Calculated Property
Cp,gas	326.63	J/mol×K	731.79	Joback Calculated Property
ΔvapH	[47.70; 71.50]	kJ/mol	[368.00; 478.50]
ΔvapH	71.50	kJ/mol	368.00	NIST
ΔvapH	59.30 ± 0.20	kJ/mol	478.50	NIST
ΔvapH	56.30 ± 0.20	kJ/mol	478.50	NIST
ΔvapH	53.40 ± 0.20	kJ/mol	478.50	NIST
ΔvapH	50.50 ± 0.40	kJ/mol	478.50	NIST
ΔvapH	47.70 ± 0.60	kJ/mol	478.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-Propenal, 2-methyl-3-phenyl-.

Sources

• Cheméo Relay (1.0)
• 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.
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