Chemical Properties of 2-Propenoic acid, 3-phenyl-, methyl ester (CAS 103-26-4)

InChI

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

InChI Key

CCRCUPLGCSFEDV-UHFFFAOYSA-N

Formula

C10H10O2

SMILES

COC(=O)C=Cc1ccccc1

Molecular Weight¹

162.19

CAS

103-26-4

Other Names

• Cinnamic acid, methyl ester
• Methyl cinnamate
• Methyl cinnamylate
• Methyl 3-phenylpropenoate
• Methyl 3-phenyl-2-propenoate
• Methyl 3-phenylacrylate
• Methyl ester of cinnamic acid
• 3-Phenyl-2-propenoic acid methyl ester
• Methyl 3-phenylprop-2-enoate
• NSC 9411
• SemaSORB 9815
• 3-Phenyl-2-propenoic acid methyl ester (methyl cinnamate)
• Methyl cinnamate (isomer)

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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 : 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	[1336.00; 1402.00]
Inp	1370.50		NIST
Inp	1394.00		NIST
Inp	1365.00		NIST
Inp	1370.00		NIST
Inp	1397.00		NIST
Inp	1373.00		NIST
Inp	1380.00		NIST
Inp	1378.00		NIST
Inp	1378.00		NIST
Inp	1389.00		NIST
Inp	1343.00		NIST
Inp	1350.00		NIST
Inp	1363.00		NIST
Inp	1363.00		NIST
Inp	1379.00		NIST
Inp	1379.00		NIST
Inp	1402.00		NIST
Inp	1344.00		NIST
Inp	1344.00		NIST
Inp	1386.00		NIST
Inp	1379.00		NIST
Inp	1342.00		NIST
Inp	1388.00		NIST
Inp	1365.00		NIST
Inp	1399.00		NIST
Inp	1342.00		NIST
Inp	1343.00		NIST
Inp	1344.00		NIST
Inp	1348.00		NIST
Inp	1346.00		NIST
Inp	1343.00		NIST
Inp	1339.00		NIST
Inp	1348.00		NIST
Inp	1380.00		NIST
Inp	1397.00		NIST
Inp	1399.00		NIST
Inp	1377.00		NIST
Inp	1389.00		NIST
Inp	1347.00		NIST
Inp	1379.00		NIST
Inp	1352.00		NIST
Inp	1336.00		NIST
Inp	1380.00		NIST
Inp	1347.00		NIST
Inp	1370.50		NIST
I	[2020.00; 2103.00]
I	2050.00		NIST
I	Outlier 2103.00		NIST
I	2070.00		NIST
I	Outlier 2103.00		NIST
I	2095.00		NIST
I	2056.00		NIST
I	2020.00		NIST
I	2020.00		NIST
I	2080.00		NIST
I	2040.00		NIST
I	2050.00		NIST
I	2065.00		NIST
I	2078.00		NIST
I	2051.00		NIST
I	2045.00		NIST
I	2073.00		NIST
I	2071.00		NIST
I	2071.00		NIST
I	2062.00		NIST
I	2024.00		NIST
I	2047.00		NIST
I	2068.00		NIST
I	2050.00		NIST
I	2078.00		NIST
I	2050.00		NIST
I	2056.00		NIST
I	2051.00		NIST
I	2051.00		NIST
I	2050.00		NIST
I	2065.00		NIST
I	Outlier 2103.00		NIST
I	2020.00		NIST
I	2065.00		NIST
I	2051.00		NIST
I	2062.00		NIST
Tboil	534.20	K	NIST
Tc	720.33	K	Relay (1.0) Calculated Property
Tfus	308.00 ± 1.50	K	NIST
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
ΔfusH	33.10	kJ/mol	309.00	NIST
ΔvapH	[50.50; 62.40]	kJ/mol	[310.50; 483.00]
ΔvapH	62.40	kJ/mol	310.50	NIST
ΔvapH	58.30	kJ/mol	443.00	NIST
ΔvapH	59.90 ± 0.20	kJ/mol	483.00	NIST
ΔvapH	56.90 ± 0.20	kJ/mol	483.00	NIST
ΔvapH	53.80 ± 0.30	kJ/mol	483.00	NIST
ΔvapH	50.50 ± 0.50	kJ/mol	483.00	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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