Chemical Properties of Benzeneacetic acid, butyl ester (CAS 122-43-0)

InChI

InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3

InChI Key

LDOXTQYWWYXYSQ-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCCCOC(=O)Cc1ccccc1

Molecular Weight¹

192.25

CAS

122-43-0

Other Names

• Acetic acid, phenyl-, butyl ester
• Butyl phenylacetate
• Phenylethanoic acid butyl ester
• Butyl benzene acetate
• n-Butyl phenylacetate
• Phenylacetic acid butyl ester

• 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).
• 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_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	0.5750		Relay (1.0) Calculated Property
ΔfG°	-147.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.25	kJ/mol	Joback Calculated Property
ΔvapH°	66.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.572		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Pc	2417.12	kPa	Joback Calculated Property
Inp	[1407.64; 1446.00]
Inp	1407.64		NIST
Inp	1433.00		NIST
Inp	1420.00		NIST
Inp	1446.00		NIST
Inp	1408.00		NIST
Inp	1407.64		NIST
Inp	1446.00		NIST
Inp	1408.00		NIST
I	[1932.00; 1970.00]
I	1932.00		NIST
I	1970.00		NIST
I	1932.00		NIST
I	1970.00		NIST
Tboil	532.82	K	Relay (1.0) Calculated Property
Tc	737.97	K	Relay (1.0) Calculated Property
Tfus	235.76	K	Relay (1.0) Calculated Property
Vc	0.606	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.90; 469.24]	J/mol×K	[559.06; 762.65]
Cp,gas	388.90	J/mol×K	559.06	Joback Calculated Property
Cp,gas	404.44	J/mol×K	592.99	Joback Calculated Property
Cp,gas	419.09	J/mol×K	626.92	Joback Calculated Property
Cp,gas	432.87	J/mol×K	660.85	Joback Calculated Property
Cp,gas	445.81	J/mol×K	694.78	Joback Calculated Property
Cp,gas	457.92	J/mol×K	728.71	Joback Calculated Property
Cp,gas	469.24	J/mol×K	762.65	Joback Calculated Property
η	[0.0001684; 0.0034193]	Pa×s	[293.75; 559.06]
η	0.0034193	Pa×s	293.75	Joback Calculated Property
η	0.0014910	Pa×s	337.97	Joback Calculated Property
η	0.0007878	Pa×s	382.19	Joback Calculated Property
η	0.0004751	Pa×s	426.40	Joback Calculated Property
η	0.0003151	Pa×s	470.62	Joback Calculated Property
η	0.0002243	Pa×s	514.84	Joback Calculated Property
η	0.0001684	Pa×s	559.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, butyl ester.

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.
These property values are available through the Cheméo API. A free account gives you an access key.