Chemical Properties of Benzeneacetic acid, 2-phenylethyl ester (CAS 102-20-5)

InChI

InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2

InChI Key

ZOZIRNMDEZKZHM-UHFFFAOYSA-N

Formula

C16H16O2

SMILES

O=C(Cc1ccccc1)OCCc1ccccc1

Molecular Weight¹

240.30

CAS

102-20-5

Other Names

• Acetic acid, phenyl-, phenethyl ester
• «beta»-Phenylethyl phenylacetate
• Benzylcarbinyl «alpha»-toluate
• Phenylacetic acid, phenethyl ester
• Phenylethyl phenylacetate
• 2-Phenylethyl phenylacetate
• Phenethyl phenylacetate
• Phenethyl «alpha»-toluate
• 2-Phenylethyl «alpha»-toluate
• Phenylacetic acid, 2-phenylethyl ester
• NSC 6676

• 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°	74.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.31	kJ/mol	Joback Calculated Property
ΔfusH°	28.07	kJ/mol	Joback Calculated Property
ΔvapH°	64.92	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	3.015		Crippen Calculated Property
McVol	196.220	ml/mol	McGowan Calculated Property
Pc	2388.85	kPa	Joback Calculated Property
Inp	[1882.50; 1924.30]
Inp	1882.50		NIST
Inp	1898.00		NIST
Inp	1924.30		NIST
Inp	1919.00		NIST
Inp	1898.00		NIST
Inp	1898.00		NIST
Inp	1919.00		NIST
Inp	1924.30		NIST
I	[2618.00; 2618.00]
I	2618.00		NIST
I	2618.00		NIST
Tboil	695.13	K	Joback Calculated Property
Tc	928.08	K	Joback Calculated Property
Tfus	395.08	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.86; 598.26]	J/mol×K	[695.13; 928.08]
Cp,gas	518.86	J/mol×K	695.13	Joback Calculated Property
Cp,gas	535.01	J/mol×K	733.95	Joback Calculated Property
Cp,gas	549.92	J/mol×K	772.78	Joback Calculated Property
Cp,gas	563.64	J/mol×K	811.60	Joback Calculated Property
Cp,gas	576.23	J/mol×K	850.43	Joback Calculated Property
Cp,gas	587.75	J/mol×K	889.25	Joback Calculated Property
Cp,gas	598.26	J/mol×K	928.08	Joback Calculated Property
η	[0.0001223; 0.0014320]	Pa×s	[395.08; 695.13]
η	0.0014320	Pa×s	395.08	Joback Calculated Property
η	0.0007547	Pa×s	445.09	Joback Calculated Property
η	0.0004527	Pa×s	495.10	Joback Calculated Property
η	0.0002983	Pa×s	545.11	Joback Calculated Property
η	0.0002108	Pa×s	595.11	Joback Calculated Property
η	0.0001572	Pa×s	645.12	Joback Calculated Property
η	0.0001223	Pa×s	695.13	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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