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.
• I_p : 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	[1343.00; 1398.00]
Inp	1379.00		NIST
Inp	1364.00		NIST
Inp	Outlier 1343.00		NIST
Inp	1364.00		NIST
Inp	1380.00		NIST
Inp	1379.00		NIST
Inp	1379.00		NIST
Inp	1379.00		NIST
Inp	1377.00		NIST
Inp	1350.00		NIST
Inp	1381.00		NIST
Inp	1381.00		NIST
Inp	1392.40		NIST
Inp	1352.00		NIST
Inp	Outlier 1398.00		NIST
Inp	1375.00		NIST
Inp	1379.00		NIST
Inp	1345.00		NIST
Inp	1365.00		NIST
Inp	1365.00		NIST
Inp	1353.00		NIST
Inp	1353.00		NIST
Inp	1353.00		NIST
Inp	1380.00		NIST
Inp	1379.00		NIST
Inp	1365.00		NIST
Inp	1352.00		NIST
Inp	1379.00		NIST
Inp	1378.00		NIST
Inp	1354.00		NIST
Inp	1379.00		NIST
Inp	1354.00		NIST
Inp	1384.00		NIST
Inp	1376.00		NIST
Inp	1386.00		NIST
Inp	1379.00		NIST
Inp	1379.00		NIST
Inp	1380.00		NIST
Inp	1379.00		NIST
Inp	1379.00		NIST
Inp	1354.00		NIST
Inp	1352.00		NIST
Inp	1365.00		NIST
Inp	1380.00		NIST
Inp	1378.00		NIST
Ip	[2019.00; 2105.00]
Ip	2050.00		NIST
Ip	2105.00		NIST
Ip	2019.00		NIST
Ip	2057.00		NIST
Ip	2080.00		NIST
Ip	2080.00		NIST
Ip	2095.00		NIST
Ip	2024.00		NIST
Ip	2047.00		NIST
Ip	2046.00		NIST
Ip	2047.00		NIST
Ip	2046.00		NIST
Ip	2096.00		NIST
Ip	2074.00		NIST
Ip	2077.00		NIST
Ip	2096.00		NIST
Ip	2096.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.70; 394.24]	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			-2.88800e+01
Coefficient B			8.40120e-01
Coefficient C			-5.40600e-04
Coefficient D			1.23600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.70	J/mol×K	273.00	Calculated Property
Cp,gas	206.15	J/mol×K	353.78	Calculated Property
Cp,gas	244.26	J/mol×K	434.56	Calculated Property
Cp,gas	277.41	J/mol×K	515.33	Calculated Property
Cp,gas	306.01	J/mol×K	596.11	Calculated Property
Cp,gas	330.43	J/mol×K	676.89	Calculated Property
Cp,gas	351.07	J/mol×K	757.67	Calculated Property
Cp,gas	368.33	J/mol×K	838.44	Calculated Property
Cp,gas	382.59	J/mol×K	919.22	Calculated Property
Cp,gas	394.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034309; 0.0001698]	Pa×s	[266.13; 516.17]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18802e+01
Coefficient B			1.65142e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			266.13
Temperature range, max.			516.17
η	0.0034309	Pa×s	266.13	Calculated Property
η	0.0019084	Pa×s	293.91	Calculated Property
η	0.0011747	Pa×s	321.69	Calculated Property
η	0.0007811	Pa×s	349.48	Calculated Property
η	0.0005515	Pa×s	377.26	Calculated Property
η	0.0004085	Pa×s	405.04	Calculated Property
η	0.0003144	Pa×s	432.82	Calculated Property
η	0.0002498	Pa×s	460.61	Calculated Property
η	0.0002037	Pa×s	488.39	Calculated Property
η	0.0001698	Pa×s	516.17	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

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