Chemical Properties of trans-Cinnamic acid (CAS 140-10-3)

InChI

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

InChI Key

WBYWAXJHAXSJNI-VOTSOKGWSA-N

Formula

C9H8O2

SMILES

O=C(O)C=Cc1ccccc1

Molecular Weight¹

148.16

CAS

140-10-3

Other Names

• (2E)-3-Phenyl-2-propenoic acid
• (E)-3-Phenyl-2-propenoic acid
• (E)-3-Phenylacrylic acid
• (E)-cinnamic acid
• 2-Propenoic acid, 3-phenyl-, (2E)-
• 2-propenoic acid, 3-phenyl-, (E)-
• Cinnamic acid
• NSC 44010
• cinnamic acid, (E)-
• trans-3-Phenyl-2-propenoic acid
• trans-3-phenylacrylic acid
• trans-3-phenylpropenoic acid
• trans-«beta»-Carboxystyrene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (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).
• 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	[-4359.30; -4344.70]	kJ/mol
ΔcH°solid	-4359.30	kJ/mol	NIST
ΔcH°solid	-4348.00 ± 2.00	kJ/mol	NIST
ΔcH°solid	-4344.70	kJ/mol	NIST
ΔfG°	-48.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.05	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-340.00; -325.30]	kJ/mol
ΔfH°solid	-325.30	kJ/mol	NIST
ΔfH°solid	-337.00	kJ/mol	NIST
ΔfH°solid	-340.00	kJ/mol	NIST
ΔfusH°	19.00	kJ/mol	Joback Calculated Property
ΔsubH°	107.10 ± 0.80	kJ/mol	NIST
ΔvapH°	84.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.00 ± 0.05	eV	NIST
log10WS	-1.94		Relay (1.0) Calculated Property
logPoct/wat	1.784		Crippen Calculated Property
McVol	117.050	ml/mol	McGowan Calculated Property
Pc	4194.74	kPa	Joback Calculated Property
Inp	[1393.00; 1462.00]
Inp	1435.00		NIST
Inp	1462.00		NIST
Inp	1450.00		NIST
Inp	1428.00		NIST
Inp	1450.90		NIST
Inp	1393.00		NIST
Inp	1454.00		NIST
Inp	1430.00		NIST
Inp	1394.00		NIST
Inp	1457.00		NIST
Inp	1458.00		NIST
Inp	1393.00		NIST
Inp	1454.00		NIST
I	[2804.00; 2844.00]
I	2835.00		NIST
I	Outlier 2804.00		NIST
I	2822.00		NIST
I	2842.00		NIST
I	2844.00		NIST
I	2827.00		NIST
I	2832.00		NIST
Tboil	573.20	K	NIST
Tc	768.44	K	Relay (1.0) Calculated Property
Tfus	406.15	K	Solid Liquid Phase Equilibrium of trans-Cinnamic Acid in Several Alcohols: Measurements and Thermodynamic Modeling

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.10; 310.53]	J/mol×K	[582.21; 794.16]
Cp,gas	261.10	J/mol×K	582.21	Joback Calculated Property
Cp,gas	270.92	J/mol×K	617.54	Joback Calculated Property
Cp,gas	280.05	J/mol×K	652.86	Joback Calculated Property
Cp,gas	288.54	J/mol×K	688.19	Joback Calculated Property
Cp,gas	296.41	J/mol×K	723.51	Joback Calculated Property
Cp,gas	303.73	J/mol×K	758.84	Joback Calculated Property
Cp,gas	310.53	J/mol×K	794.16	Joback Calculated Property
Cp,solid	197.50	J/mol×K	323.00	NIST
η	[0.0000904; 0.0067351]	Pa×s	[323.28; 582.21]
η	0.0067351	Pa×s	323.28	Joback Calculated Property
η	0.0021509	Pa×s	366.44	Joback Calculated Property
η	0.0008737	Pa×s	409.59	Joback Calculated Property
η	0.0004214	Pa×s	452.75	Joback Calculated Property
η	0.0002307	Pa×s	495.90	Joback Calculated Property
η	0.0001391	Pa×s	539.06	Joback Calculated Property
η	0.0000904	Pa×s	582.21	Joback Calculated Property
ΔfusH	[22.21; 22.63]	kJ/mol	[404.80; 406.20]
ΔfusH	22.60	kJ/mol	404.80	NIST
ΔfusH	22.21	kJ/mol	406.10	NIST
ΔfusH	22.63	kJ/mol	406.15	NIST
ΔfusH	22.63	kJ/mol	406.20	NIST
ΔvapH	73.90	kJ/mol	501.50	NIST

Similar Compounds

Find more compounds similar to trans-Cinnamic acid.

Mixtures

• Carbon dioxide + trans-Cinnamic acid
• trans-Cinnamic acid + Norflurane
• Carbon dioxide + trans-Cinnamic acid + Ethanol
• Carbon dioxide + trans-Cinnamic acid + Ethyl Acetate
• Carbon dioxide + trans-Cinnamic acid + Pentane
• trans-Cinnamic acid + Methyl Alcohol
• trans-Cinnamic acid + Ethanol
• 1-Propanol + trans-Cinnamic acid
• trans-Cinnamic acid + 1-Butanol
• 2-Propanol + trans-Cinnamic acid
• trans-Cinnamic acid + 1-Propanol, 2-methyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of cinnamic acid in supercritical carbon dioxide and subcritical 1,1,1,2-tetrafluoroethane: Experimental data and modelling
• Solid Liquid Phase Equilibrium of trans-Cinnamic Acid in Several Alcohols: Measurements and Thermodynamic Modeling
• Trans-Cinnamic Acid Solubility Enhancement in the Presence of Ethanol As a Supercritical CO2 Cosolvent
• Joback Method
• McGowan Method
• NIST Webbook

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