Chemical Properties of 1,3-dimethylbicyclo[3.3.0]-2,8-dioxa-4-thiaoctane

InChI

InChI=1S/C7H12O2S/c1-5-9-7(2)6(10-5)3-4-8-7/h5-6H,3-4H2,1-2H3

InChI Key

ZBNZQMIOTWVDDI-UHFFFAOYSA-N

Formula

C7H12O2S

SMILES

CC1OC2(C)OCCC2S1

Molecular Weight¹

160.23

• 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_np : Non-polar retention indices.
• 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	0.3145		Relay (... Calculated Property
ΔfG°	-40.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-380.73	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.34	kJ/mol	Joback Calculated Property
ΔvapH°	56.01	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-1.51		Relay (... Calculated Property
logPoct/wat	1.601		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Pc	3945.61	kPa	Joback Calculated Property
Inp	[1083.00; 1083.00]
Inp	1083.00		NIST
Inp	1083.00		NIST
I	1562.00		NIST
Tboil	465.88	K	Relay (... Calculated Property
Tc	697.82	K	Relay (... Calculated Property
Tfus	317.30	K	Relay (... Calculated Property
Vc	0.432	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.87; 347.48]	J/mol×K	[478.88; 715.60]
Cp,gas	267.87	J/mol×K	478.88	Joback Calculated Property
Cp,gas	283.97	J/mol×K	518.33	Joback Calculated Property
Cp,gas	298.71	J/mol×K	557.79	Joback Calculated Property
Cp,gas	312.25	J/mol×K	597.24	Joback Calculated Property
Cp,gas	324.78	J/mol×K	636.70	Joback Calculated Property
Cp,gas	336.47	J/mol×K	676.15	Joback Calculated Property
Cp,gas	347.48	J/mol×K	715.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-dimethylbicyclo[3.3.0]-2,8-dioxa-4-thiaoctane.

Sources

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

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