Chemical Properties of Benzeneacetaldehyde, «alpha»-methyl- (CAS 93-53-8)

InChI

InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3

InChI Key

IQVAERDLDAZARL-UHFFFAOYSA-N

Formula

C9H10O

SMILES

CC(C=O)c1ccccc1

Molecular Weight¹

134.18

CAS

93-53-8

Other Names

• (.+/-.)-Hydratropic aldehyde
• 2-Fenyl-1-propanal
• 2-Phenyl-1-propanal
• 2-phenylpropanal
• 2-phenylpropionaldehyde
• Aldehyd hydratropovy
• Benzene, (1-formylethyl)-
• C9H10O
• Cumene aldehyde
• Hyacinthal
• Hydratropa aldehyde
• Hydratropaldehyde
• Hydratropic aldehyde
• Hydrotropic aldehyde
• NSC 5231
• Propionaldehyde, 2-phenyl-
• propanal, 2-phenyl-
• «alpha»-Formylethylbenzene
• «alpha»-Methyl-«alpha»-toluic aldehyde
• «alpha»-Methylphenylacetaldehyde
• «alpha»-Phenylpropionaldehyde
• «alpha»-Tolualdehyde, «alpha»-methyl-
• «alpha»-Methylbenzeneacetaldehyde

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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
ω	0.3578		Relay (1.0) Calculated Property
ΔfG°	35.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-80.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.87	kJ/mol	Joback Calculated Property
ΔvapH°	54.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-1.57		Relay (1.0) Calculated Property
logPoct/wat	1.989		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Pc	3589.94	kPa	Joback Calculated Property
Inp	[1039.00; 1093.60]
Inp	1090.00		NIST
Inp	1083.90		NIST
Inp	1093.60		NIST
Inp	1080.00		NIST
Inp	1090.00		NIST
Inp	1039.00		NIST
Inp	1039.00		NIST
Inp	1093.60		NIST
Inp	1083.90		NIST
Ip	[1314.00; 1631.00]
Ip	1314.00		NIST
Ip	1612.00		NIST
Ip	1631.00		NIST
Ip	1612.00		NIST
Ip	1314.00		NIST
Tboil	475.50 ± 1.50	K	NIST
Tc	702.61	K	Relay (1.0) Calculated Property
Tfus	267.22	K	Relay (1.0) Calculated Property
Vc	0.409	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[43.40; 52.30]	kJ/mol	[440.50; 440.50]
ΔvapH	52.30 ± 0.20	kJ/mol	440.50	NIST
ΔvapH	49.40 ± 0.20	kJ/mol	440.50	NIST
ΔvapH	46.60 ± 0.30	kJ/mol	440.50	NIST
ΔvapH	43.40 ± 0.50	kJ/mol	440.50	NIST
Pvap	[3.06; 20.97]	kPa	[373.10; 423.15]
Pvap	3.06	kPa	373.10	Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
Pvap	20.97	kPa	423.15	Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.75; 356.44]	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			-2.94800e+01
Coefficient B			7.60320e-01
Coefficient C			-4.93200e-04
Coefficient D			1.18800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.75	J/mol×K	273.00	Calculated Property
Cp,gas	183.04	J/mol×K	353.78	Calculated Property
Cp,gas	217.53	J/mol×K	434.56	Calculated Property
Cp,gas	247.62	J/mol×K	515.33	Calculated Property
Cp,gas	273.66	J/mol×K	596.11	Calculated Property
Cp,gas	296.04	J/mol×K	676.89	Calculated Property
Cp,gas	315.13	J/mol×K	757.67	Calculated Property
Cp,gas	331.31	J/mol×K	838.44	Calculated Property
Cp,gas	344.96	J/mol×K	919.22	Calculated Property
Cp,gas	356.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048271; 0.0002647]	Pa×s	[244.61; 488.75]	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			-1.11458e+01
Coefficient B			1.42175e+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.			244.61
Temperature range, max.			488.75
η	0.0048271	Pa×s	244.61	Calculated Property
η	0.0027020	Pa×s	271.74	Calculated Property
η	0.0016805	Pa×s	298.86	Calculated Property
η	0.0011312	Pa×s	325.99	Calculated Property
η	0.0008091	Pa×s	353.12	Calculated Property
η	0.0006071	Pa×s	380.24	Calculated Property
η	0.0004733	Pa×s	407.37	Calculated Property
η	0.0003806	Pa×s	434.50	Calculated Property
η	0.0003141	Pa×s	461.62	Calculated Property
η	0.0002647	Pa×s	488.75	Calculated Property

Similar Compounds

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

Mixtures

• Benzeneacetaldehyde, «alpha»-methyl- + Phenol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
• Joback Method
• McGowan Method
• NIST Webbook

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