Chemical Properties of 4,7-Methanobenzofuran, 2,2'-oxybis[octahydro-7,8,8-trimethyl-, [2«alpha»(2'R*,3'aS*,4'R*,7'R*,7'aS*),3a«alpha»,4«alpha»,7«alpha»,7a«alpha»]- (CAS 81955-10-4)

InChI

InChI=1S/C24H38O3/c1-21(2)15-7-9-23(21,5)19-13(15)11-17(26-19)25-18-12-14-16-8-10-24(6,20(14)27-18)22(16,3)4/h13-20H,7-12H2,1-6H3

InChI Key

VUDXCBLBKXFCNA-UHFFFAOYSA-N

Formula

C24H38O3

SMILES

CC1(C)C2CCC1(C)C1OC(OC3CC4C5CCC(C)(C4O3)C5(C)C)CC21

Molecular Weight¹

374.56

CAS

81955-10-4

Other Names

• (+)-Noe's reagent
• (+)-MBF-OH dimer

• 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).
• 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	[1124.65; 1362.56]	J/mol×K	[846.76; 1083.09]
Cp,gas	1124.65	J/mol×K	846.76	Joback Calculated Property
Cp,gas	1158.18	J/mol×K	886.15	Joback Calculated Property
Cp,gas	1193.29	J/mol×K	925.54	Joback Calculated Property
Cp,gas	1230.65	J/mol×K	964.93	Joback Calculated Property
Cp,gas	1270.88	J/mol×K	1004.31	Joback Calculated Property
Cp,gas	1314.63	J/mol×K	1043.70	Joback Calculated Property
Cp,gas	1362.56	J/mol×K	1083.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,7-Methanobenzofuran, 2,2'-oxybis[octahydro-7,8,8-trimethyl-, [2«alpha»(2'R*,3'aS*,4'R*,7'R*,7'aS*),3a«alpha»,4«alpha»,7«alpha»,7a«alpha»]-.

Sources

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

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