Chemical Properties of Eugenol, «beta»-D-glucopyranoside, TFA

InChI

InChI=1S/C24H18F12O11/c1-3-4-9-5-6-10(11(7-9)41-2)43-16-15(47-20(40)24(34,35)36)14(46-19(39)23(31,32)33)13(45-18(38)22(28,29)30)12(44-16)8-42-17(37)21(25,26)27/h3,5-7,12-16H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m0/s1

InChI Key

OXPQPWKLKWTOPR-QMHWVQJVSA-N

Formula

C24H18F12O11

SMILES

C=CCc1ccc(OC2OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC(=O)C(F)(F)F)c(OC)c1

Molecular Weight¹

710.37

Other Names

• Eugenol, Gly, TFA

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-3232.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-3990.67	kJ/mol	Joback Calculated Property
ΔfusH°	74.83	kJ/mol	Joback Calculated Property
ΔvapH°	102.11	kJ/mol	Joback Calculated Property
log10WS	-6.36		Crippen Calculated Property
logPoct/wat	4.055		Crippen Calculated Property
McVol	378.710	ml/mol	McGowan Calculated Property
Pc	850.48	kPa	Joback Calculated Property
Inp	[2032.00; 2046.00]
Inp	2046.00		NIST
Inp	2032.00		NIST
Inp	2039.00		NIST
Inp	2039.00		NIST
Inp	2032.00		NIST
Tboil	1137.98	K	Joback Calculated Property
Tc	1429.86	K	Joback Calculated Property
Tfus	776.79	K	Joback Calculated Property
Vc	1.506	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.37; 1321.83]	J/mol×K	[1137.98; 1429.86]
Cp,gas	1319.17	J/mol×K	1137.98	Joback Calculated Property
Cp,gas	1321.83	J/mol×K	1186.63	Joback Calculated Property
Cp,gas	1321.30	J/mol×K	1235.27	Joback Calculated Property
Cp,gas	1317.69	J/mol×K	1283.92	Joback Calculated Property
Cp,gas	1311.10	J/mol×K	1332.57	Joback Calculated Property
Cp,gas	1301.63	J/mol×K	1381.21	Joback Calculated Property
Cp,gas	1289.37	J/mol×K	1429.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eugenol, «beta»-D-glucopyranoside, TFA.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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