Chemical Properties of 2,6-dimethyl-3-thiaheptane

InChI

InChI=1S/C8H18S/c1-7(2)5-6-9-8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

YYBJZRATXUDALK-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CC(C)CCSC(C)C

Molecular Weight¹

146.29

• 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°	44.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.14	kJ/mol	Joback Calculated Property
ΔfusH°	13.56	kJ/mol	Joback Calculated Property
ΔvapH°	39.44	kJ/mol	Joback Calculated Property
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	3.174		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	2621.78	kPa	Joback Calculated Property
Inp	[997.00; 997.00]
Inp	997.00		NIST
Inp	997.00		NIST
Inp	997.00		NIST
Tboil	450.34	K	Joback Calculated Property
Tc	644.50	K	Joback Calculated Property
Tfus	184.32	K	Joback Calculated Property
Vc	0.525	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.13; 366.15]	J/mol×K	[450.34; 644.50]
Cp,gas	287.13	J/mol×K	450.34	Joback Calculated Property
Cp,gas	301.81	J/mol×K	482.70	Joback Calculated Property
Cp,gas	315.88	J/mol×K	515.06	Joback Calculated Property
Cp,gas	329.34	J/mol×K	547.42	Joback Calculated Property
Cp,gas	342.19	J/mol×K	579.78	Joback Calculated Property
Cp,gas	354.46	J/mol×K	612.14	Joback Calculated Property
Cp,gas	366.15	J/mol×K	644.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-dimethyl-3-thiaheptane.

Sources

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

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