Chemical Properties of 2,4,6-Triethyl-[1,3,5]trioxane, stereoisomer 1

InChI

InChI=1S/C9H18O3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3

InChI Key

GYBGKXFOKOSPLS-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

CCC1OC(CC)OC(CC)O1

Molecular Weight¹

174.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.98	kJ/mol	Joback Calculated Property
logPoct/wat	2.258		Crippen Calculated Property
McVol	144.420	ml/mol	McGowan Calculated Property
I	[1254.00; 1254.00]
I	1254.00		NIST
I	1254.00		NIST
Tboil	450.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[354.76; 448.18]	J/mol×K	[496.38; 693.27]
Cp,gas	354.76	J/mol×K	496.38	Joback Calculated Property
Cp,gas	372.24	J/mol×K	529.19	Joback Calculated Property
Cp,gas	388.95	J/mol×K	562.01	Joback Calculated Property
Cp,gas	404.89	J/mol×K	594.82	Joback Calculated Property
Cp,gas	420.08	J/mol×K	627.64	Joback Calculated Property
Cp,gas	434.51	J/mol×K	660.45	Joback Calculated Property
Cp,gas	448.18	J/mol×K	693.27	Joback Calculated Property
η	[0.0003543; 0.0042417]	Pa×s	[269.80; 496.38]
η	0.0042417	Pa×s	269.80	Joback Calculated Property
η	0.0021753	Pa×s	307.56	Joback Calculated Property
η	0.0012910	Pa×s	345.33	Joback Calculated Property
η	0.0008492	Pa×s	383.09	Joback Calculated Property
η	0.0006022	Pa×s	420.85	Joback Calculated Property
η	0.0004519	Pa×s	458.62	Joback Calculated Property
η	0.0003543	Pa×s	496.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Triethyl-[1,3,5]trioxane, stereoisomer 1.

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.