Chemical Properties of cis-2,4,6-Trimethyl-1,3,5-trioxane (CAS 1499-02-1)

InChI

InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3/t4-,5+,6-

InChI Key

SQYNKIJPMDEDEG-FPFOFBBKSA-N

Formula

C6H12O3

SMILES

CC1OC(C)OC(C)O1

Molecular Weight¹

132.16

CAS

1499-02-1

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.56; 300.83]	J/mol×K	[427.74; 632.02]
Cp,gas	223.56	J/mol×K	427.74	Joback Calculated Property
Cp,gas	237.89	J/mol×K	461.79	Joback Calculated Property
Cp,gas	251.64	J/mol×K	495.83	Joback Calculated Property
Cp,gas	264.82	J/mol×K	529.88	Joback Calculated Property
Cp,gas	277.41	J/mol×K	563.93	Joback Calculated Property
Cp,gas	289.41	J/mol×K	597.97	Joback Calculated Property
Cp,gas	300.83	J/mol×K	632.02	Joback Calculated Property
η	[0.0004053; 0.0038487]	Pa×s	[235.99; 427.74]
η	0.0038487	Pa×s	235.99	Joback Calculated Property
η	0.0021146	Pa×s	267.95	Joback Calculated Property
η	0.0013200	Pa×s	299.91	Joback Calculated Property
η	0.0009023	Pa×s	331.87	Joback Calculated Property
η	0.0006594	Pa×s	363.82	Joback Calculated Property
η	0.0005069	Pa×s	395.78	Joback Calculated Property
η	0.0004053	Pa×s	427.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-2,4,6-Trimethyl-1,3,5-trioxane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.