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

• ω : Acentric Factor.
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0448		Relay (1.0) Calculated Property
ΔfG°	-528.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-904.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.69	kJ/mol	Joback Calculated Property
ΔvapH°	128.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	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
Pc	3348.98	kPa	Joback Calculated Property
Inp	[2522.70; 2522.70]
Inp	2522.70		NIST
Inp	2522.70		NIST
Tboil	659.18	K	Relay (1.0) Calculated Property
Tc	916.20	K	Relay (1.0) Calculated Property
Tfus	380.27	K	Relay (1.0) Calculated Property
Vc	0.684	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.68; 648.92]	J/mol×K	[895.91; 1104.89]
Cp,gas	596.68	J/mol×K	895.91	Joback Calculated Property
Cp,gas	606.30	J/mol×K	930.74	Joback Calculated Property
Cp,gas	615.48	J/mol×K	965.57	Joback Calculated Property
Cp,gas	624.28	J/mol×K	1000.40	Joback Calculated Property
Cp,gas	632.75	J/mol×K	1035.23	Joback Calculated Property
Cp,gas	640.94	J/mol×K	1070.06	Joback Calculated Property
Cp,gas	648.92	J/mol×K	1104.89	Joback Calculated Property
η	[0.0000001; 0.0000128]	Pa×s	[582.88; 895.91]
η	0.0000128	Pa×s	582.88	Joback Calculated Property
η	0.0000042	Pa×s	635.05	Joback Calculated Property
η	0.0000016	Pa×s	687.22	Joback Calculated Property
η	0.0000007	Pa×s	739.39	Joback Calculated Property
η	0.0000003	Pa×s	791.57	Joback Calculated Property
η	0.0000002	Pa×s	843.74	Joback Calculated Property
η	0.0000001	Pa×s	895.91	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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