Chemical Properties of 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester

InChI

InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+

InChI Key

RGACABDFLVLVCT-CMDGGOBGSA-N

Formula

C12H14O2

SMILES

CC(C)OC(=O)/C=C/c1ccccc1

Molecular Weight¹

190.24

Other Names

• Cinnamic acid, isopropyl ester
• Isopropyl cinnamate
• Isopropylester kyseliny skoricove
• Isopropyl 3-phenylpropenoate
• 1-Methylethyl 3-phenylpropenoate
• Isopropyl 3-phenyl-2-propenoate

• 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).
• I_np : Non-polar retention indices.
• I : 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	-291.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.93	kJ/mol	Joback Calculated Property
ΔvapH°	68.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	2.651		Crippen Calculated Property
McVol	159.320	ml/mol	McGowan Calculated Property
Inp	[1485.00; 1485.00]
Inp	1485.00		NIST
Inp	1485.00		NIST
I	[2097.00; 2097.00]
I	2097.00		NIST
I	2097.00		NIST
Tboil	522.15	K	Relay (1.0) Calculated Property
Tfus	305.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.17; 448.40]	J/mol×K	[562.78; 780.00]
Cp,gas	370.17	J/mol×K	562.78	Joback Calculated Property
Cp,gas	385.62	J/mol×K	598.98	Joback Calculated Property
Cp,gas	400.05	J/mol×K	635.19	Joback Calculated Property
Cp,gas	413.50	J/mol×K	671.39	Joback Calculated Property
Cp,gas	426.01	J/mol×K	707.59	Joback Calculated Property
Cp,gas	437.63	J/mol×K	743.80	Joback Calculated Property
Cp,gas	448.40	J/mol×K	780.00	Joback Calculated Property
η	[0.0001342; 0.0045527]	Pa×s	[273.67; 562.78]
η	0.0045527	Pa×s	273.67	Joback Calculated Property
η	0.0016301	Pa×s	321.86	Joback Calculated Property
η	0.0007626	Pa×s	370.04	Joback Calculated Property
η	0.0004250	Pa×s	418.23	Joback Calculated Property
η	0.0002673	Pa×s	466.41	Joback Calculated Property
η	0.0001834	Pa×s	514.60	Joback Calculated Property
η	0.0001342	Pa×s	562.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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