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

InChI

InChI=1S/C9H18O2S/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3

InChI Key

SVNXDVGQOSCMJR-UHFFFAOYSA-N

Formula

C9H18O2S

SMILES

CCC1OC(CC)SC(CC)O1

Molecular Weight¹

190.30

• 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).
• 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
ω	0.3647		Relay (... Calculated Property
ΔfG°	-98.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-470.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.66	kJ/mol	Joback Calculated Property
ΔvapH°	59.36	kJ/mol	Relay (... Calculated Property
IE	8.49	eV	Relay (... Calculated Property
log10WS	-2.58		Relay (... Calculated Property
logPoct/wat	2.975		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2584.59	kPa	Joback Calculated Property
I	[1550.00; 1550.00]
I	1550.00		NIST
I	1550.00		NIST
Tboil	484.50	K	Relay (... Calculated Property
Tc	690.66	K	Relay (... Calculated Property
Tfus	308.02	K	Relay (... Calculated Property
Vc	0.571	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.17; 468.34]	J/mol×K	[517.26; 727.59]
Cp,gas	373.17	J/mol×K	517.26	Joback Calculated Property
Cp,gas	391.21	J/mol×K	552.32	Joback Calculated Property
Cp,gas	408.36	J/mol×K	587.37	Joback Calculated Property
Cp,gas	424.64	J/mol×K	622.43	Joback Calculated Property
Cp,gas	440.06	J/mol×K	657.48	Joback Calculated Property
Cp,gas	454.62	J/mol×K	692.54	Joback Calculated Property
Cp,gas	468.34	J/mol×K	727.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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