Chemical Properties of 2-Methyl-3-butene-2-thiol

InChI

InChI=1S/C5H10S/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+

InChI Key

ZKDRFRZNMQYWPD-HWKANZROSA-N

Formula

C5H10S

SMILES

CC=C(C)CS

Molecular Weight¹

102.20

Other Names

• 2-Methyl-2-buten-1-thiol

• 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	0.3033		Relay (1.0) Calculated Property
ΔfG°	92.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-29.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.64	kJ/mol	Joback Calculated Property
ΔvapH°	43.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	1.882		Crippen Calculated Property
McVol	93.360	ml/mol	McGowan Calculated Property
Pc	4021.02	kPa	Joback Calculated Property
Inp	[823.00; 823.00]
Inp	823.00		NIST
Inp	823.00		NIST
Tboil	392.70	K	Relay (1.0) Calculated Property
Tc	592.25	K	Relay (1.0) Calculated Property
Tfus	164.80	K	Relay (1.0) Calculated Property
Vc	0.330	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.62; 205.70]	J/mol×K	[380.70; 585.16]
Cp,gas	153.62	J/mol×K	380.70	Joback Calculated Property
Cp,gas	163.54	J/mol×K	414.78	Joback Calculated Property
Cp,gas	172.94	J/mol×K	448.85	Joback Calculated Property
Cp,gas	181.82	J/mol×K	482.93	Joback Calculated Property
Cp,gas	190.23	J/mol×K	517.01	Joback Calculated Property
Cp,gas	198.18	J/mol×K	551.09	Joback Calculated Property
Cp,gas	205.70	J/mol×K	585.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-butene-2-thiol.

Sources

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

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