Chemical Properties of 2,2,4-Trimethyl-1,3-pentanediol diacetate (CAS 4100-09-8)

InChI

InChI=1S/C12H22O4/c1-8(2)11(16-10(4)14)12(5,6)7-15-9(3)13/h8,11H,7H2,1-6H3

InChI Key

AVQIDJASTVSUMQ-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CC(=O)OCC(C)(C)C(OC(C)=O)C(C)C

Molecular Weight¹

230.30

CAS

4100-09-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	[519.80; 602.20]	J/mol×K	[622.43; 814.75]
Cp,gas	519.80	J/mol×K	622.43	Joback Calculated Property
Cp,gas	535.54	J/mol×K	654.48	Joback Calculated Property
Cp,gas	550.46	J/mol×K	686.54	Joback Calculated Property
Cp,gas	564.57	J/mol×K	718.59	Joback Calculated Property
Cp,gas	577.89	J/mol×K	750.64	Joback Calculated Property
Cp,gas	590.42	J/mol×K	782.70	Joback Calculated Property
Cp,gas	602.20	J/mol×K	814.75	Joback Calculated Property
η	[0.0001161; 0.0031157]	Pa×s	[341.74; 622.43]
η	0.0031157	Pa×s	341.74	Joback Calculated Property
η	0.0012944	Pa×s	388.52	Joback Calculated Property
η	0.0006495	Pa×s	435.30	Joback Calculated Property
η	0.0003726	Pa×s	482.09	Joback Calculated Property
η	0.0002358	Pa×s	528.87	Joback Calculated Property
η	0.0001608	Pa×s	575.65	Joback Calculated Property
η	0.0001161	Pa×s	622.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,4-Trimethyl-1,3-pentanediol diacetate.

Sources

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

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