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

InChI

InChI=1S/C22H32O8/c1-13(23)25-15-16(26-14(2)24)18-20(30-22(28-18)11-7-4-8-12-22)19-17(15)27-21(29-19)9-5-3-6-10-21/h15-20H,3-12H2,1-2H3

InChI Key

ZUFNLWFMJYRZHS-UHFFFAOYSA-N

Formula

C22H32O8

SMILES

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

Molecular Weight¹

424.48

• 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°	-493.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1224.67	kJ/mol	Joback Calculated Property
ΔfusH°	56.82	kJ/mol	Joback Calculated Property
ΔvapH°	98.46	kJ/mol	Joback Calculated Property
log10WS	-4.46		Crippen Calculated Property
logPoct/wat	2.752		Crippen Calculated Property
McVol	304.900	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[2664.50; 2664.50]
Inp	2664.50		NIST
Inp	2664.50		NIST
Tboil	1013.20	K	Joback Calculated Property
Tc	1264.20	K	Joback Calculated Property
Tfus	688.44	K	Joback Calculated Property
Vc	1.121	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1202.29; 1399.37]	J/mol×K	[1013.20; 1264.20]
Cp,gas	1202.29	J/mol×K	1013.20	Joback Calculated Property
Cp,gas	1231.45	J/mol×K	1055.03	Joback Calculated Property
Cp,gas	1261.56	J/mol×K	1096.87	Joback Calculated Property
Cp,gas	1293.02	J/mol×K	1138.70	Joback Calculated Property
Cp,gas	1326.21	J/mol×K	1180.53	Joback Calculated Property
Cp,gas	1361.53	J/mol×K	1222.37	Joback Calculated Property
Cp,gas	1399.37	J/mol×K	1264.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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