Chemical Properties of 2,6,6-trimethyl-5-thiaheptane

InChI

InChI=1S/C9H20S/c1-8(2)6-7-10-9(3,4)5/h8H,6-7H2,1-5H3

InChI Key

YDYYIHNVGFTNDT-UHFFFAOYSA-N

Formula

C9H20S

SMILES

CC(C)CCSC(C)(C)C

Molecular Weight¹

160.32

• 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.
• 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	0.3439		Relay (... Calculated Property
ΔfG°	58.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-205.67	kJ/mol	Relay (... Calculated Property
ΔfusH°	12.26	kJ/mol	Joback Calculated Property
ΔvapH°	49.47	kJ/mol	Relay (... Calculated Property
IE	7.98	eV	Relay (... Calculated Property
log10WS	-3.92		Relay (... Calculated Property
logPoct/wat	3.564		Crippen Calculated Property
McVol	154.020	ml/mol	McGowan Calculated Property
Pc	2407.64	kPa	Joback Calculated Property
Inp	[1031.00; 1031.00]
Inp	1031.00		NIST
Inp	1031.00		NIST
Inp	1031.00		NIST
Inp	1031.00		NIST
Tboil	446.41	K	Relay (... Calculated Property
Tc	633.01	K	Relay (... Calculated Property
Tfus	206.68	K	Relay (... Calculated Property
Vc	0.558	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.15; 420.64]	J/mol×K	[470.43; 670.37]
Cp,gas	333.15	J/mol×K	470.43	Joback Calculated Property
Cp,gas	349.79	J/mol×K	503.75	Joback Calculated Property
Cp,gas	365.57	J/mol×K	537.08	Joback Calculated Property
Cp,gas	380.51	J/mol×K	570.40	Joback Calculated Property
Cp,gas	394.65	J/mol×K	603.72	Joback Calculated Property
Cp,gas	408.01	J/mol×K	637.04	Joback Calculated Property
Cp,gas	420.64	J/mol×K	670.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6,6-trimethyl-5-thiaheptane.

Sources

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

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