Chemical Properties of 3,4-Dimethyl-2,5-dihidrothiophene

InChI

InChI=1S/C6H10S/c1-5-3-7-4-6(5)2/h3-4H2,1-2H3

InChI Key

FVJYABFEMJVLGH-UHFFFAOYSA-N

Formula

C6H10S

SMILES

CC1=C(C)CSC1

Molecular Weight¹

114.21

• 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	0.2255		Relay (1.0) Calculated Property
ΔfG°	94.46	kJ/mol	Joback Calculated Property
ΔfH°gas	53.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.26	kJ/mol	Joback Calculated Property
ΔvapH°	46.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-2.04		Relay (1.0) Calculated Property
logPoct/wat	2.070		Crippen Calculated Property
McVol	96.590	ml/mol	McGowan Calculated Property
Pc	4000.70	kPa	Joback Calculated Property
Inp	[1213.00; 1213.00]
Inp	1213.00		NIST
Inp	1213.00		NIST
Tboil	425.60	K	Relay (1.0) Calculated Property
Tc	630.86	K	Relay (1.0) Calculated Property
Tfus	252.20	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.88; 230.79]	J/mol×K	[413.58; 632.63]
Cp,gas	170.88	J/mol×K	413.58	Joback Calculated Property
Cp,gas	182.34	J/mol×K	450.09	Joback Calculated Property
Cp,gas	193.17	J/mol×K	486.60	Joback Calculated Property
Cp,gas	203.41	J/mol×K	523.10	Joback Calculated Property
Cp,gas	213.07	J/mol×K	559.61	Joback Calculated Property
Cp,gas	222.19	J/mol×K	596.12	Joback Calculated Property
Cp,gas	230.79	J/mol×K	632.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethyl-2,5-dihidrothiophene.

Sources

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

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