Chemical Properties of «alpha»-Cyano-3-hydroxycinnamic acid (CAS 54673-07-3)

InChI

InChI=1S/C10H7NO3/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7/h1-5,12H,(H,13,14)/b8-4+

InChI Key

HPLNTJVXWMJLNJ-XBXARRHUSA-N

Formula

C10H7NO3

SMILES

N#CC(=Cc1cccc(O)c1)C(=O)O

Molecular Weight¹

189.17

CAS

54673-07-3

Other Names

• 2-Propenoic acid, 2-cyano-3-(3-hydroxyphenyl)-
• alpha-cyano-m-hydroxycinnamic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.40; 395.54]	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			-4.13000e+01
Coefficient B			1.03500e+00
Coefficient C			-9.35460e-04
Coefficient D			3.37300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.40	J/mol×K	273.00	Calculated Property
Cp,gas	222.71	J/mol×K	353.78	Calculated Property
Cp,gas	259.49	J/mol×K	434.56	Calculated Property
Cp,gas	289.80	J/mol×K	515.33	Calculated Property
Cp,gas	314.71	J/mol×K	596.11	Calculated Property
Cp,gas	335.28	J/mol×K	676.89	Calculated Property
Cp,gas	352.58	J/mol×K	757.67	Calculated Property
Cp,gas	367.68	J/mol×K	838.44	Calculated Property
Cp,gas	381.65	J/mol×K	919.22	Calculated Property
Cp,gas	395.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Cyano-3-hydroxycinnamic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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