Chemical Properties of Resveratrol

InChI

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

InChI Key

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

Formula

C14H12O3

SMILES

Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1

Molecular Weight¹

228.25

Other Names

• 1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-
• 1,3-Benzenediol, 5-[2-(4-hydroxyphenyl)ethenyl]-, (E)-
• 5-[(1E)-2-(4-hydroxyphenyl)-ethenyl]-1,3-benzenediol
• trans-resveratrol

• 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_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

Property	Value	Unit	Source
ΔfH°gas	-262.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.65	kJ/mol	Joback Calculated Property
ΔvapH°	149.30	kJ/mol	Relay (1.0) Calculated Property
IE	7.51	eV	Relay (1.0) Calculated Property
log10WS	-4.34		Aq. Solubility Prediction
logPoct/wat	2.974		Crippen Calculated Property
McVol	173.910	ml/mol	McGowan Calculated Property
Tboil	667.55	K	Relay (1.0) Calculated Property
Tfus	[527.15; 541.30]	K
Tfus	541.30	K	Measurement and correlation of solubility of trans-resveratrol in 11 solvents at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K
Tfus	527.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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	[224.62; 541.23]	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			-1.18590e+02
Coefficient B			1.65980e+00
Coefficient C			-1.65308e-03
Coefficient D			6.53100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.62	J/mol×K	273.00	Calculated Property
Cp,gas	290.63	J/mol×K	353.78	Calculated Property
Cp,gas	344.11	J/mol×K	434.56	Calculated Property
Cp,gas	387.14	J/mol×K	515.33	Calculated Property
Cp,gas	421.76	J/mol×K	596.11	Calculated Property
Cp,gas	450.05	J/mol×K	676.89	Calculated Property
Cp,gas	474.08	J/mol×K	757.67	Calculated Property
Cp,gas	495.91	J/mol×K	838.44	Calculated Property
Cp,gas	517.61	J/mol×K	919.22	Calculated Property
Cp,gas	541.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000122; 6.9277611e-08]	Pa×s	[534.22; 763.28]	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			-2.85516e+01
Coefficient B			9.21010e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			534.22
Temperature range, max.			763.28
η	0.0000122	Pa×s	534.22	Calculated Property
η	0.0000056	Pa×s	559.68	Calculated Property
η	0.0000027	Pa×s	585.13	Calculated Property
η	0.0000014	Pa×s	610.58	Calculated Property
η	0.0000008	Pa×s	636.03	Calculated Property
η	0.0000004	Pa×s	661.48	Calculated Property
η	0.0000003	Pa×s	686.93	Calculated Property
η	0.0000002	Pa×s	712.38	Calculated Property
η	0.0000001	Pa×s	737.83	Calculated Property
η	6.9277611e-08	Pa×s	763.28	Calculated Property

Similar Compounds

Find more compounds similar to Resveratrol.

Mixtures

• Methyl Alcohol + Resveratrol
• Ethanol + Resveratrol
• 1-Propanol + Resveratrol
• 2-Propanol + Resveratrol
• 1-Butanol + Resveratrol
• 1-Pentanol + Resveratrol
• 1-Hexanol + Resveratrol
• Ethyl Acetate + Resveratrol
• Tetrahydrofuran + Resveratrol
• Acetone + Resveratrol
• Water + Resveratrol
• Ethanol + Water + Resveratrol
• Acetone + Water + Resveratrol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Measurement and correlation of solubility of trans-resveratrol in 11 solvents at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K
• Measurement and Correlation of Solubilities of trans-Resveratrol in Ethanol + Water and Acetone + Water Mixed Solvents at Different Temperatures
• Joback Method
• Aqueous Solubility Prediction 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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