Chemical Properties of 4,5-dehydro-2-methylthiacyclopentane

InChI

InChI=1S/C5H8S/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3

InChI Key

MFAXBTKOLOJEHX-UHFFFAOYSA-N

Formula

C5H8S

SMILES

CC1CC=CS1

Molecular Weight¹

100.18

• 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 : 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°	97.59	kJ/mol	Joback Calculated Property
ΔfH°gas	16.99	kJ/mol	Joback Calculated Property
ΔfusH°	7.52	kJ/mol	Joback Calculated Property
ΔvapH°	33.09	kJ/mol	Joback Calculated Property
log10WS	-2.15		Crippen Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	82.500	ml/mol	McGowan Calculated Property
Pc	4516.42	kPa	Joback Calculated Property
I	[1108.00; 1108.00]
I	1108.00		NIST
I	1108.00		NIST
Tboil	376.07	K	Joback Calculated Property
Tc	593.44	K	Joback Calculated Property
Tfus	241.22	K	Joback Calculated Property
Vc	0.288	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.81; 191.77]	J/mol×K	[376.07; 593.44]
Cp,gas	132.81	J/mol×K	376.07	Joback Calculated Property
Cp,gas	144.23	J/mol×K	412.30	Joback Calculated Property
Cp,gas	154.97	J/mol×K	448.53	Joback Calculated Property
Cp,gas	165.07	J/mol×K	484.76	Joback Calculated Property
Cp,gas	174.55	J/mol×K	520.99	Joback Calculated Property
Cp,gas	183.44	J/mol×K	557.21	Joback Calculated Property
Cp,gas	191.77	J/mol×K	593.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-dehydro-2-methylthiacyclopentane.

Sources

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

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