Chemical Properties of Vomifoliol, rutinoside, TFA

InChI

InChI=1S/C38H31F21O19/c1-11(5-7-31(78-29(67)38(57,58)59)8-6-13(60)9-30(31,3)4)69-22-20(77-28(66)37(54,55)56)18(75-26(64)35(48,49)50)16(73-24(62)33(42,43)44)14(71-22)10-68-21-19(76-27(65)36(51,52)53)17(74-25(63)34(45,46)47)15(12(2)70-21)72-23(61)32(39,40)41/h5-8,11-12,14-22H,9-10H2,1-4H3/b7-5+/t11?,12-,14+,15-,16+,17+,18-,19+,20+,21+,22+,31?/m1/s1

InChI Key

DGJXAFGHCBDCHS-HYAJSXBFSA-N

Formula

C38H31F21O19

SMILES

CC(C=CC1(OC(=O)C(F)(F)F)C=CC(=O)CC1(C)C)OC1OC(COC2OC(C)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F

Molecular Weight¹

1190.61

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2737.63; 10159.66]	J/mol×K	[1751.47; 3314.43]
Cp,gas	2737.63	J/mol×K	1751.47	Joback Calculated Property
Cp,gas	3102.90	J/mol×K	2011.96	Joback Calculated Property
Cp,gas	3704.14	J/mol×K	2272.46	Joback Calculated Property
Cp,gas	4625.90	J/mol×K	2532.95	Joback Calculated Property
Cp,gas	5952.71	J/mol×K	2793.45	Joback Calculated Property
Cp,gas	7769.12	J/mol×K	3053.94	Joback Calculated Property
Cp,gas	10159.66	J/mol×K	3314.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Vomifoliol, rutinoside, TFA.

Sources

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

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