Chemical Properties of 2,2-dimethyl-3-thiaoctane

InChI

InChI=1S/C9H20S/c1-5-6-7-8-10-9(2,3)4/h5-8H2,1-4H3

InChI Key

UXAUXPUBBOWMBI-UHFFFAOYSA-N

Formula

C9H20S

SMILES

CCCCCSC(C)(C)C

Molecular Weight¹

160.32

• 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).
• 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.
• 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°	60.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-195.97	kJ/mol	Joback Calculated Property
ΔfusH°	15.78	kJ/mol	Joback Calculated Property
ΔvapH°	41.15	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	3.708		Crippen Calculated Property
McVol	154.020	ml/mol	McGowan Calculated Property
Pc	2388.85	kPa	Joback Calculated Property
Inp	[1073.00; 1076.00]
Inp	1076.00		NIST
Inp	1073.00		NIST
Inp	1073.00		NIST
Inp	1076.00		NIST
Tboil	470.87	K	Joback Calculated Property
Tc	666.34	K	Joback Calculated Property
Tfus	228.01	K	Joback Calculated Property
Vc	0.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.03; 418.46]	J/mol×K	[470.87; 666.34]
Cp,gas	333.03	J/mol×K	470.87	Joback Calculated Property
Cp,gas	349.22	J/mol×K	503.45	Joback Calculated Property
Cp,gas	364.59	J/mol×K	536.03	Joback Calculated Property
Cp,gas	379.17	J/mol×K	568.61	Joback Calculated Property
Cp,gas	392.98	J/mol×K	601.18	Joback Calculated Property
Cp,gas	406.07	J/mol×K	633.76	Joback Calculated Property
Cp,gas	418.46	J/mol×K	666.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-dimethyl-3-thiaoctane.

Sources

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

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