Chemical Properties of Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester (CAS 100996-43-8)

InChI

InChI=1S/C27H44O6/c1-26(2)22-18(12-10-16-30-22)24(26)32-20(28)14-8-6-5-7-9-15-21(29)33-25-19-13-11-17-31-23(19)27(25,3)4/h18-19,22-25H,5-17H2,1-4H3

InChI Key

BKZWWJZOYXKLFW-UHFFFAOYSA-N

Formula

C27H44O6

SMILES

CC1(C)C2OCCCC2C1OC(=O)CCCCCCCC(=O)OC1C2CCCOC2C1(C)C

Molecular Weight¹

464.63

CAS

100996-43-8

• 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	[1474.00; 1692.68]	J/mol×K	[1049.48; 1285.69]
Cp,gas	1474.00	J/mol×K	1049.48	Joback Calculated Property
Cp,gas	1506.78	J/mol×K	1088.85	Joback Calculated Property
Cp,gas	1540.57	J/mol×K	1128.22	Joback Calculated Property
Cp,gas	1575.72	J/mol×K	1167.59	Joback Calculated Property
Cp,gas	1612.56	J/mol×K	1206.95	Joback Calculated Property
Cp,gas	1651.43	J/mol×K	1246.32	Joback Calculated Property
Cp,gas	1692.68	J/mol×K	1285.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester.

Sources

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

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