Chemical Properties of cis-2-Methoxycinnamic acid (CAS 14737-91-8)

InChI

InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6-

InChI Key

FEGVSPGUHMGGBO-SREVYHEPSA-N

Formula

C10H10O3

SMILES

COc1ccccc1C=CC(=O)O

Molecular Weight¹

178.18

CAS

14737-91-8

Other Names

• cis-o-Methoxycinnamic acid
• 2-Propenoic acid, 3-(2-methoxyphenyl)-, (Z)-
• Cinnamic acid, o-methoxy-, (Z)-
• Acide ortho-methoxycinnamique
• Substance H 36
• (Z)-o-methoxycinnamic acid

• 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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[177.94; 412.37]	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			-9.89000e+00
Coefficient B			8.23020e-01
Coefficient C			-5.29760e-04
Coefficient D			1.29000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.94	J/mol×K	273.00	Calculated Property
Cp,gas	220.68	J/mol×K	353.78	Calculated Property
Cp,gas	258.30	J/mol×K	434.56	Calculated Property
Cp,gas	291.21	J/mol×K	515.33	Calculated Property
Cp,gas	319.80	J/mol×K	596.11	Calculated Property
Cp,gas	344.49	J/mol×K	676.89	Calculated Property
Cp,gas	365.68	J/mol×K	757.67	Calculated Property
Cp,gas	383.79	J/mol×K	838.44	Calculated Property
Cp,gas	399.21	J/mol×K	919.22	Calculated Property
Cp,gas	412.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007798; 0.0001703]	Pa×s	[419.15; 601.71]	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			-1.21702e+01
Coefficient B			2.10147e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			419.15
Temperature range, max.			601.71
η	0.0007798	Pa×s	419.15	Calculated Property
η	0.0006187	Pa×s	439.43	Calculated Property
η	0.0005010	Pa×s	459.72	Calculated Property
η	0.0004130	Pa×s	480.00	Calculated Property
η	0.0003458	Pa×s	500.29	Calculated Property
η	0.0002936	Pa×s	520.57	Calculated Property
η	0.0002523	Pa×s	540.86	Calculated Property
η	0.0002193	Pa×s	561.14	Calculated Property
η	0.0001924	Pa×s	581.43	Calculated Property
η	0.0001703	Pa×s	601.71	Calculated Property

Similar Compounds

Find more compounds similar to cis-2-Methoxycinnamic 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

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