Chemical Properties of (-)-1,2:5,6-Di-O-cyclohexylidene-L-inositol, bis(trifluoroacetate)

InChI

InChI=1S/C22H26F6O8/c23-21(24,25)17(29)31-11-12(32-18(30)22(26,27)28)14-16(36-20(34-14)9-5-2-6-10-20)15-13(11)33-19(35-15)7-3-1-4-8-19/h11-16H,1-10H2

InChI Key

NZBHEDMCLWMLFW-UHFFFAOYSA-N

Formula

C22H26F6O8

SMILES

O=C(OC1C(OC(=O)C(F)(F)F)C2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12)C(F)(F)F

Molecular Weight¹

532.43

• 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	0.6943		Relay (... Calculated Property
ΔfG°	-1656.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2682.95	kJ/mol	Relay (... Calculated Property
ΔfusH°	60.47	kJ/mol	Joback Calculated Property
ΔvapH°	117.22	kJ/mol	Relay (... Calculated Property
IE	9.88	eV	Relay (... Calculated Property
log10WS	-4.95		Relay (... Calculated Property
logPoct/wat	3.837		Crippen Calculated Property
McVol	315.520	ml/mol	McGowan Calculated Property
Pc	1381.96	kPa	Joback Calculated Property
Inp	[2199.70; 2199.70]
Inp	2199.70		NIST
Inp	2199.70		NIST
Tboil	687.75	K	Relay (... Calculated Property
Tc	920.61	K	Relay (... Calculated Property
Tfus	420.17	K	Relay (... Calculated Property
Vc	1.278	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1240.14; 1418.43]	J/mol×K	[1002.36; 1235.03]
Cp,gas	1240.14	J/mol×K	1002.36	Joback Calculated Property
Cp,gas	1265.99	J/mol×K	1041.14	Joback Calculated Property
Cp,gas	1292.89	J/mol×K	1079.92	Joback Calculated Property
Cp,gas	1321.22	J/mol×K	1118.69	Joback Calculated Property
Cp,gas	1351.33	J/mol×K	1157.47	Joback Calculated Property
Cp,gas	1383.61	J/mol×K	1196.25	Joback Calculated Property
Cp,gas	1418.43	J/mol×K	1235.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-1,2:5,6-Di-O-cyclohexylidene-L-inositol, bis(trifluoroacetate).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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