Chemical Properties of Linalool oxide (furanoid) «beta»-D-glucopyranoside, TFA

InChI

InChI=1S/C24H24F12O11/c1-5-20(4)7-6-10(46-20)19(2,3)47-14-13(45-18(40)24(34,35)36)12(44-17(39)23(31,32)33)11(43-16(38)22(28,29)30)9(42-14)8-41-15(37)21(25,26)27/h5,9-14H,1,6-8H2,2-4H3/t9-,10?,11-,12+,13-,14+,20?/m1/s1

InChI Key

WJLOKMGYFMOJBB-FZGFGYPESA-N

Formula

C24H24F12O11

SMILES

C=CC1(C)CCC(C(C)(C)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)O1

Molecular Weight¹

716.42

• 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°	-3280.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-4157.41	kJ/mol	Joback Calculated Property
ΔfusH°	69.65	kJ/mol	Joback Calculated Property
ΔvapH°	98.11	kJ/mol	Joback Calculated Property
log10WS	-6.26		Crippen Calculated Property
logPoct/wat	4.158		Crippen Calculated Property
McVol	391.610	ml/mol	McGowan Calculated Property
Pc	811.22	kPa	Joback Calculated Property
Inp	[1774.00; 1774.00]
Inp	1774.00		NIST
Inp	1774.00		NIST
Tboil	1113.49	K	Joback Calculated Property
Tc	1388.78	K	Joback Calculated Property
Tfus	762.65	K	Joback Calculated Property
Vc	1.544	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1467.29; 1579.19]	J/mol×K	[1113.49; 1388.78]
Cp,gas	1467.29	J/mol×K	1113.49	Joback Calculated Property
Cp,gas	1485.73	J/mol×K	1159.37	Joback Calculated Property
Cp,gas	1503.80	J/mol×K	1205.25	Joback Calculated Property
Cp,gas	1521.84	J/mol×K	1251.14	Joback Calculated Property
Cp,gas	1540.18	J/mol×K	1297.02	Joback Calculated Property
Cp,gas	1559.19	J/mol×K	1342.90	Joback Calculated Property
Cp,gas	1579.19	J/mol×K	1388.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Linalool oxide (furanoid) «beta»-D-glucopyranoside, TFA.

Sources

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

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