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)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	-7.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-140.78	kJ/mol	Joback Calculated Property
ΔfusH°	18.69	kJ/mol	Joback Calculated Property
ΔvapH°	49.24	kJ/mol	Joback Calculated Property
log10WS	-1.99		Crippen Calculated Property
logPoct/wat	1.873		Crippen Calculated Property
McVol	131.140	ml/mol	McGowan Calculated Property
Pc	3269.04	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	2051.00		NIST
I	2062.00		NIST
I	Outlier 2103.00		NIST
I	2020.00		NIST
I	2065.00		NIST
Tboil	534.20	K	NIST
Tc	757.99	K	Joback Calculated Property
Tfus	308.00 ± 1.50	K	NIST
Vc	0.491	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.89; 348.24]	J/mol×K	[535.33; 757.99]
Cp,gas	281.89	J/mol×K	535.33	Joback Calculated Property
Cp,gas	294.93	J/mol×K	572.44	Joback Calculated Property
Cp,gas	307.12	J/mol×K	609.55	Joback Calculated Property
Cp,gas	318.52	J/mol×K	646.66	Joback Calculated Property
Cp,gas	329.15	J/mol×K	683.77	Joback Calculated Property
Cp,gas	339.04	J/mol×K	720.88	Joback Calculated Property
Cp,gas	348.24	J/mol×K	757.99	Joback Calculated Property
η	[0.0001831; 0.0021489]	Pa×s	[295.96; 535.33]
η	0.0021489	Pa×s	295.96	Joback Calculated Property
η	0.0011171	Pa×s	335.86	Joback Calculated Property
η	0.0006673	Pa×s	375.75	Joback Calculated Property
η	0.0004400	Pa×s	415.65	Joback Calculated Property
η	0.0003121	Pa×s	455.54	Joback Calculated Property
η	0.0002340	Pa×s	495.44	Joback Calculated Property
η	0.0001831	Pa×s	535.33	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

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.