Chemical Properties of Oxiranecarboxylic acid, 3-phenyl-, ethyl ester (CAS 121-39-1)

InChI

InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChI Key

GOMAKLPNAAZVCJ-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

CCOC(=O)C1OC1c1ccccc1

Molecular Weight¹

192.21

CAS

121-39-1

Other Names

• Glycidic acid, 3-phenyl-, ethyl ester
• Ethyl «alpha»,«beta»-epoxyhydrocinnamate
• Ethyl phenylglycidate
• Ethyl 2,3-epoxy-3-phenylpropionate
• Ethyl 3-phenylglycidate
• Ethyl «alpha»,«beta»-epoxy-«alpha»-phenylpropionate
• ethyl 3-phenyloxirane-2-carboxylate

• 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_boilr : Boiling point at reduced pressure (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	0.4556		Relay (1.0) Calculated Property
ΔfH°gas	-401.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.84	kJ/mol	Joback Calculated Property
ΔvapH°	76.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-1.61		Relay (1.0) Calculated Property
logPoct/wat	1.690		Crippen Calculated Property
McVol	144.540	ml/mol	McGowan Calculated Property
Pc	2921.84	kPa	Joback Calculated Property
Inp	[1529.00; 1529.00]
Inp	1529.00		NIST
Inp	1529.00		NIST
Inp	1529.00		NIST
Tboil	510.39	K	Relay (1.0) Calculated Property
Tc	750.71	K	Relay (1.0) Calculated Property
Tfus	293.61	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	[358.92; 436.02]	J/mol×K	[565.20; 785.52]
Cp,gas	358.92	J/mol×K	565.20	Joback Calculated Property
Cp,gas	374.25	J/mol×K	601.92	Joback Calculated Property
Cp,gas	388.53	J/mol×K	638.64	Joback Calculated Property
Cp,gas	401.80	J/mol×K	675.36	Joback Calculated Property
Cp,gas	414.11	J/mol×K	712.08	Joback Calculated Property
Cp,gas	425.50	J/mol×K	748.80	Joback Calculated Property
Cp,gas	436.02	J/mol×K	785.52	Joback Calculated Property
η	[0.0004549; 0.0023412]	Pa×s	[322.75; 565.20]
η	0.0023412	Pa×s	322.75	Joback Calculated Property
η	0.0015307	Pa×s	363.16	Joback Calculated Property
η	0.0010896	Pa×s	403.57	Joback Calculated Property
η	0.0008252	Pa×s	443.97	Joback Calculated Property
η	0.0006546	Pa×s	484.38	Joback Calculated Property
η	0.0005381	Pa×s	524.79	Joback Calculated Property
η	0.0004549	Pa×s	565.20	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Oxiranecarboxylic acid, 3-phenyl-, ethyl 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.
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