Chemical Properties of 2-methyl-2-tetrahydrothiophenethiol

InChI

InChI=1S/C5H10S2/c1-5(6)3-2-4-7-5/h6H,2-4H2,1H3

InChI Key

SVPXVYCUWKYTRA-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

CC1(S)CCCS1

Molecular Weight¹

134.26

• 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.
• 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
ΔfG°	91.53	kJ/mol	Joback Calculated Property
ΔfH°gas	12.93	kJ/mol	Joback Calculated Property
ΔfusH°	4.04	kJ/mol	Joback Calculated Property
ΔvapH°	38.38	kJ/mol	Joback Calculated Property
log10WS	-2.37		Crippen Calculated Property
logPoct/wat	2.159		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Pc	4994.44	kPa	Joback Calculated Property
Inp	[1025.00; 1025.00]
Inp	1025.00		NIST
Inp	1025.00		NIST
I	[1488.00; 1488.00]
I	1488.00		NIST
I	1488.00		NIST
Tboil	440.01	K	Joback Calculated Property
Tc	695.57	K	Joback Calculated Property
Tfus	300.82	K	Joback Calculated Property
Vc	0.354	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.31; 256.68]	J/mol×K	[440.01; 695.57]
Cp,gas	190.31	J/mol×K	440.01	Joback Calculated Property
Cp,gas	204.11	J/mol×K	482.60	Joback Calculated Property
Cp,gas	216.56	J/mol×K	525.20	Joback Calculated Property
Cp,gas	227.86	J/mol×K	567.79	Joback Calculated Property
Cp,gas	238.19	J/mol×K	610.38	Joback Calculated Property
Cp,gas	247.73	J/mol×K	652.97	Joback Calculated Property
Cp,gas	256.68	J/mol×K	695.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-2-tetrahydrothiophenethiol.

Sources

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

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