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

• ω : Acentric Factor.
• 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).
• 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	0.8798		Relay (... Calculated Property
ΔfG°	-3280.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-4303.18	kJ/mol	Relay (... Calculated Property
ΔfusH°	69.65	kJ/mol	Joback Calculated Property
ΔvapH°	121.04	kJ/mol	Relay (... Calculated Property
IE	10.22	eV	Relay (... Calculated Property
log10WS	-5.88		Relay (... 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	635.25	K	Relay (... Calculated Property
Tc	794.02	K	Relay (... Calculated Property
Tfus	368.92	K	Relay (... Calculated Property
Vc	1.492	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.