Chemical Properties of 2-Propenoic acid, 3-phenyl- (CAS 621-82-9)

InChI

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)

InChI Key

WBYWAXJHAXSJNI-UHFFFAOYSA-N

Formula

C9H8O2

SMILES

O=C(O)C=Cc1ccccc1

Molecular Weight¹

148.16

CAS

621-82-9

Other Names

• 3-Phenyl-2-propenoic acid (cinnamic acid)
• 3-phenyl-2-propenoic acid
• 3-phenylacrylic acid
• 3-phenylpropenoic acid
• Cinnamylic acid
• Kyselina skoricove
• NSC 9189
• Phenylacrylic acid
• Zimtsaeure
• beta-Phenylacrylic acid
• cinnamic acid
• «beta»-Phenylacrylic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6389		Relay (1.0) Calculated Property
ΔcH°solid	-4357.20	kJ/mol	NIST
ΔfG°	-126.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.45	kJ/mol	Joback Calculated Property
ΔvapH°	83.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-1.94		Relay (1.0) Calculated Property
logPoct/wat	1.784		Crippen Calculated Property
McVol	117.050	ml/mol	McGowan Calculated Property
Pc	3857.88	kPa	Joback Calculated Property
Inp	[1386.00; 1435.00]
Inp	1435.00		NIST
Inp	1434.00		NIST
Inp	1386.00		NIST
Inp	1396.00		NIST
Inp	1394.00		NIST
Inp	1394.00		NIST
Inp	1395.00		NIST
Inp	1395.00		NIST
Ip	[2801.00; 2869.00]
Ip	2830.00		NIST
Ip	2845.00		NIST
Ip	2852.00		NIST
Ip	2852.00		NIST
Ip	2852.00		NIST
Ip	2869.00		NIST
Ip	Outlier 2801.00		NIST
Ip	2830.00		NIST
Tboil	559.92	K	Relay (1.0) Calculated Property
Tc	771.28	K	Relay (1.0) Calculated Property
Tfus	[406.00; 410.00]	K
Tfus	406.15 ± 0.20	K	NIST
Tfus	406.15 ± 0.70	K	NIST
Tfus	406.35 ± 1.00	K	NIST
Tfus	Outlier 410.00 ± 1.50	K	NIST
Tfus	406.00 ± 2.00	K	NIST
Tfus	406.30 ± 0.50	K	NIST
Tfus	406.00 ± 2.00	K	NIST
Tfus	406.00 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume 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	[138.77; 345.32]	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			-4.87800e+01
Coefficient B			8.50700e-01
Coefficient C			-6.53400e-04
Coefficient D			1.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.77	J/mol×K	273.00	Calculated Property
Cp,gas	179.11	J/mol×K	353.78	Calculated Property
Cp,gas	213.66	J/mol×K	434.56	Calculated Property
Cp,gas	243.02	J/mol×K	515.33	Calculated Property
Cp,gas	267.83	J/mol×K	596.11	Calculated Property
Cp,gas	288.71	J/mol×K	676.89	Calculated Property
Cp,gas	306.27	J/mol×K	757.67	Calculated Property
Cp,gas	321.15	J/mol×K	838.44	Calculated Property
Cp,gas	333.96	J/mol×K	919.22	Calculated Property
Cp,gas	345.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008287; 0.0002088]	Pa×s	[406.14; 571.32]	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			-1.18637e+01
Coefficient B			1.93648e+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.			406.14
Temperature range, max.			571.32
η	0.0008287	Pa×s	406.14	Calculated Property
η	0.0006743	Pa×s	424.49	Calculated Property
η	0.0005582	Pa×s	442.84	Calculated Property
η	0.0004690	Pa×s	461.20	Calculated Property
η	0.0003994	Pa×s	479.55	Calculated Property
η	0.0003441	Pa×s	497.90	Calculated Property
η	0.0002997	Pa×s	516.26	Calculated Property
η	0.0002635	Pa×s	534.61	Calculated Property
η	0.0002336	Pa×s	552.96	Calculated Property
η	0.0002088	Pa×s	571.32	Calculated Property

Similar Compounds

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

Mixtures

• Carbon dioxide + 2-Propenoic acid, 3-phenyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubilities of cinnamic acid, phenoxyacetic acid and 4-methoxyphenylacetic acid in supercritical carbon dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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