Chemical Properties of Benzoic acid, 2-phenylethyl ester (CAS 94-47-3)

InChI

InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2

InChI Key

OSORMYZMWHVFOZ-UHFFFAOYSA-N

Formula

C15H14O2

SMILES

O=C(OCCc1ccccc1)c1ccccc1

Molecular Weight¹

226.27

CAS

94-47-3

Other Names

• Benzoic acid, phenethyl ester
• «beta»-Phenylethyl benzoate
• Benzylcarbinyl benzoate
• Phenethyl alcohol, benzoate
• Phenethyl benzoate
• Phenylethyl benzoate
• 2-Phenylethyl benzoate
• «beta»-Phenethyl benzoate
• 2-Fenylethylester kyseliny benzoove

• 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).
• 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°	66.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-124.67	kJ/mol	Joback Calculated Property
ΔfusH°	25.48	kJ/mol	Joback Calculated Property
ΔvapH°	62.69	kJ/mol	Joback Calculated Property
log10WS	-3.75		Crippen Calculated Property
logPoct/wat	3.086		Crippen Calculated Property
McVol	182.130	ml/mol	McGowan Calculated Property
Pc	2629.85	kPa	Joback Calculated Property
Inp	[1796.00; 1863.00]
Inp	Outlier 1796.00		NIST
Inp	1809.00		NIST
Inp	1825.00		NIST
Inp	1825.00		NIST
Inp	1836.00		NIST
Inp	1849.00		NIST
Inp	1863.00		NIST
Inp	1818.00		NIST
Inp	1860.00		NIST
Inp	1859.00		NIST
Inp	1848.00		NIST
Inp	1829.00		NIST
Inp	1815.00		NIST
Inp	1828.00		NIST
Inp	1858.90		NIST
Inp	1844.00		NIST
Inp	1823.00		NIST
Inp	1854.00		NIST
Inp	1841.00		NIST
Inp	1841.00		NIST
Inp	1841.00		NIST
Inp	1858.00		NIST
Inp	1841.00		NIST
Inp	1859.00		NIST
Inp	1841.00		NIST
Inp	1825.00		NIST
I	[2621.00; 2682.00]
I	2621.00		NIST
I	2652.00		NIST
I	2652.00		NIST
I	2682.00		NIST
I	2668.00		NIST
I	2654.00		NIST
Tboil	672.25	K	Joback Calculated Property
Tc	909.92	K	Joback Calculated Property
Tfus	383.81	K	Joback Calculated Property
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[466.75; 544.01]	J/mol×K	[672.25; 909.92]
Cp,gas	466.75	J/mol×K	672.25	Joback Calculated Property
Cp,gas	482.53	J/mol×K	711.86	Joback Calculated Property
Cp,gas	497.08	J/mol×K	751.47	Joback Calculated Property
Cp,gas	510.44	J/mol×K	791.09	Joback Calculated Property
Cp,gas	522.68	J/mol×K	830.70	Joback Calculated Property
Cp,gas	533.85	J/mol×K	870.31	Joback Calculated Property
Cp,gas	544.01	J/mol×K	909.92	Joback Calculated Property
η	[0.0001364; 0.0015219]	Pa×s	[383.81; 672.25]
η	0.0015219	Pa×s	383.81	Joback Calculated Property
η	0.0008139	Pa×s	431.88	Joback Calculated Property
η	0.0004934	Pa×s	479.96	Joback Calculated Property
η	0.0003277	Pa×s	528.03	Joback Calculated Property
η	0.0002330	Pa×s	576.10	Joback Calculated Property
η	0.0001746	Pa×s	624.18	Joback Calculated Property
η	0.0001364	Pa×s	672.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-phenylethyl ester.

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.