Chemical Properties of Benzeneacetic acid, «alpha»-ethyl- (CAS 90-27-7)

InChI

InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)

InChI Key

OFJWFSNDPCAWDK-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CCC(C(=O)O)c1ccccc1

Molecular Weight¹

164.20

CAS

90-27-7

Other Names

• (.+/-.)-2-Phenylbutanoic acid
• (.+/-.)-2-Phenylbutyric acid
• 2-Phenylbutanoic acid
• 2-Phenylbutyric acid
• Butyric acid, 2-phenyl-
• NSC 1860
• «alpha»-Ethylphenylacetic acid
• «alpha»-Phenyl-n-butyric acid
• «alpha»-Phenylbutyric acid
• «alpha»-Toluic acid, «alpha»-ethyl-
• «alpha»Ethylbenzeneacetic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (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	0.6364		Relay (1.0) Calculated Property
ΔfH°gas	-367.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.32	kJ/mol	Joback Calculated Property
ΔvapH°	63.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	2.265		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
Pc	3265.31	kPa	Joback Calculated Property
Inp	[236.36; 1414.90]
Inp	1414.90		NIST
Inp	236.36		NIST
Tboil	544.20	K	NIST
Tc	768.59	K	Relay (1.0) Calculated Property
Tfus	354.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[330.78; 394.77]	J/mol×K	[600.15; 824.85]
Cp,gas	330.78	J/mol×K	600.15	Joback Calculated Property
Cp,gas	343.51	J/mol×K	637.60	Joback Calculated Property
Cp,gas	355.36	J/mol×K	675.05	Joback Calculated Property
Cp,gas	366.35	J/mol×K	712.50	Joback Calculated Property
Cp,gas	376.55	J/mol×K	749.95	Joback Calculated Property
Cp,gas	386.01	J/mol×K	787.40	Joback Calculated Property
Cp,gas	394.77	J/mol×K	824.85	Joback Calculated Property
η	[0.0001991; 0.0016272]	Pa×s	[374.48; 600.15]
η	0.0016272	Pa×s	374.48	Joback Calculated Property
η	0.0009772	Pa×s	412.09	Joback Calculated Property
η	0.0006391	Pa×s	449.70	Joback Calculated Property
η	0.0004463	Pa×s	487.31	Joback Calculated Property
η	0.0003281	Pa×s	524.93	Joback Calculated Property
η	0.0002514	Pa×s	562.54	Joback Calculated Property
η	0.0001991	Pa×s	600.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»-ethyl-.

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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