Chemical Properties of 2-Propenoic acid, 3-phenyl-, methyl ester, (E)- (CAS 1754-62-7)

InChI

InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChI Key

CCRCUPLGCSFEDV-BQYQJAHWSA-N

Formula

C10H10O2

SMILES

COC(=O)C=Cc1ccccc1

Molecular Weight¹

162.19

CAS

1754-62-7

Other Names

• Cinnamic acid, methyl ester, (E)-
• (E)-Methyl cinnamate
• trans-Methyl cinnamate
• trans-Methyl 3-phenyl-2-propenoate
• Methyl (E)-cinnamate
• Methyl trans-cinnamate
• trans-Cinnamic acid methyl ester
• Methyl (E)-3-phenylprop-2-enoate
• Methyl (E)-3-phenylpropenoate
• Methyl cinnamate, (E)
• (E)-3-Phenylacrylic acid methyl ester
• Methyl (E)-3-phenyl-2-propenoate
• Methyl trans-3-phenyl-2-propenoate

• 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_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
ω	0.4352		Relay (1.0) Calculated Property
ΔfH°gas	-216.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.27	kJ/mol	Joback Calculated Property
ΔvapH°	64.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-2.68		Relay (1.0) Calculated Property
logPoct/wat	1.873		Crippen Calculated Property
McVol	131.140	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	[1352.00; 1380.00]
Inp	1352.00		NIST
Inp	1365.00		NIST
Inp	1380.00		NIST
Inp	1378.00		NIST
Tboil	511.86	K	Relay (1.0) Calculated Property
Tc	720.33	K	Relay (1.0) Calculated Property
Tfus	299.36	K	Relay (1.0) Calculated Property
Vc	0.462	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.22; 346.22]	J/mol×K	[517.46; 737.39]
Cp,gas	278.22	J/mol×K	517.46	Joback Calculated Property
Cp,gas	291.68	J/mol×K	554.11	Joback Calculated Property
Cp,gas	304.25	J/mol×K	590.77	Joback Calculated Property
Cp,gas	315.95	J/mol×K	627.42	Joback Calculated Property
Cp,gas	326.82	J/mol×K	664.08	Joback Calculated Property
Cp,gas	336.90	J/mol×K	700.73	Joback Calculated Property
Cp,gas	346.22	J/mol×K	737.39	Joback Calculated Property
η	[0.0001685; 0.0034309]	Pa×s	[266.13; 517.46]
η	0.0034309	Pa×s	266.13	Joback Calculated Property
η	0.0014754	Pa×s	308.02	Joback Calculated Property
η	0.0007766	Pa×s	349.91	Joback Calculated Property
η	0.0004688	Pa×s	391.80	Joback Calculated Property
η	0.0003120	Pa×s	433.68	Joback Calculated Property
η	0.0002231	Pa×s	475.57	Joback Calculated Property
η	0.0001685	Pa×s	517.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.