Chemical Properties of 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)- (CAS 120601-69-6)

InChI

InChI=1S/C13H16O6/c1-18-12-6-9(2-4-11(12)16)3-5-13(17)19-8-10(15)7-14/h2-6,10,14-16H,7-8H2,1H3/b5-3+

InChI Key

QXRAHTFDPBQKIM-HWKANZROSA-N

Formula

C13H16O6

SMILES

COc1cc(C=CC(=O)OCC(O)CO)ccc1O

Molecular Weight¹

268.26

CAS

120601-69-6

Other Names

• Glyceryl ferulate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	39.27	kJ/mol	Joback Calculated Property
ΔvapH°	129.07	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.71		Relay (1.0) Calculated Property
logPoct/wat	0.310		Crippen Calculated Property
McVol	196.890	ml/mol	McGowan Calculated Property
Inp	[2522.70; 2522.70]
Inp	2522.70		NIST
Inp	2522.70		NIST
Tboil	659.18	K	Relay (1.0) Calculated Property
Tfus	382.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.56; 643.57]	J/mol×K	[878.04; 1084.29]
Cp,gas	593.56	J/mol×K	878.04	Joback Calculated Property
Cp,gas	602.96	J/mol×K	912.41	Joback Calculated Property
Cp,gas	611.85	J/mol×K	946.79	Joback Calculated Property
Cp,gas	620.31	J/mol×K	981.16	Joback Calculated Property
Cp,gas	628.37	J/mol×K	1015.54	Joback Calculated Property
Cp,gas	636.11	J/mol×K	1049.91	Joback Calculated Property
Cp,gas	643.57	J/mol×K	1084.29	Joback Calculated Property
η	[0.0000001; 0.0000221]	Pa×s	[553.05; 878.04]
η	0.0000221	Pa×s	553.05	Joback Calculated Property
η	0.0000061	Pa×s	607.21	Joback Calculated Property
η	0.0000021	Pa×s	661.38	Joback Calculated Property
η	0.0000008	Pa×s	715.54	Joback Calculated Property
η	0.0000004	Pa×s	769.71	Joback Calculated Property
η	0.0000002	Pa×s	823.88	Joback Calculated Property
η	0.0000001	Pa×s	878.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)-.

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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