Chemical Properties of s-Trioxane, 2,4,6-triethyl- (CAS 2396-42-1)

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

CAS

2396-42-1

Other Names

• Parapropionaldehyde
• 2,4,6-Triethyl-s-trioxane
• 1,3,5-Trioxane, 2,4,6-triethyl-
• 2,4,6-Triethyl-[1,3,5]trioxane, stereoisomer 2

• 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).
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-224.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-611.45	kJ/mol	Joback Calculated Property
ΔfusH°	36.98	kJ/mol	Joback Calculated Property
ΔvapH°	48.97	kJ/mol	Joback Calculated Property
log10WS	-2.57		Crippen Calculated Property
logPoct/wat	2.258		Crippen Calculated Property
McVol	144.420	ml/mol	McGowan Calculated Property
Pc	2576.72	kPa	Joback Calculated Property
I	[1285.00; 1285.00]
I	1285.00		NIST
I	1285.00		NIST
Tboil	496.38	K	Joback Calculated Property
Tc	693.27	K	Joback Calculated Property
Tfus	269.80	K	Joback Calculated Property
Vc	0.533	m3/kmol	Joback Calculated Property

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 s-Trioxane, 2,4,6-triethyl-.

Sources

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

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