Chemical Properties of Phenyl ethyl angelate, 2-

InChI

InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+

InChI Key

KVMWYGAYARXPOL-QDEBKDIKSA-N

Formula

C13H16O2

SMILES

CC=C(C)C(=O)OCCc1ccccc1

Molecular Weight¹

204.26

Other Names

• 2-Phenylethyl (Z)-2-methyl-2-butenoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-264.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.73	kJ/mol	Joback Calculated Property
ΔvapH°	76.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	2.738		Crippen Calculated Property
McVol	173.410	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1600.00; 1600.00]
Inp	1600.00		NIST
Inp	1600.00		NIST
Tboil	551.48	K	Relay (1.0) Calculated Property
Tfus	252.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.49; 548.74]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.12980e+01
Coefficient B			1.12504e+00
Coefficient C			-7.06100e-04
Coefficient D			1.61100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.49	J/mol×K	273.00	Calculated Property
Cp,gas	285.47	J/mol×K	353.78	Calculated Property
Cp,gas	337.48	J/mol×K	434.56	Calculated Property
Cp,gas	383.00	J/mol×K	515.33	Calculated Property
Cp,gas	422.56	J/mol×K	596.11	Calculated Property
Cp,gas	456.67	J/mol×K	676.89	Calculated Property
Cp,gas	485.83	J/mol×K	757.67	Calculated Property
Cp,gas	510.56	J/mol×K	838.44	Calculated Property
Cp,gas	531.36	J/mol×K	919.22	Calculated Property
Cp,gas	548.74	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenyl ethyl angelate, 2-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.