Chemical Properties of 2,4-Diethyl-2,5-dihydro-thiophene, stereoisomer 1

InChI

InChI=1S/C8H14S/c1-3-7-5-8(4-2)9-6-7/h5,8H,3-4,6H2,1-2H3

InChI Key

BZXQFAQLKRFMOG-UHFFFAOYSA-N

Formula

C8H14S

SMILES

CCC1=CC(CC)SC1

Molecular Weight¹

142.26

• 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 : 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	0.2462		Relay (1.0) Calculated Property
ΔfG°	113.22	kJ/mol	Joback Calculated Property
ΔfH°gas	7.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.90	kJ/mol	Joback Calculated Property
ΔvapH°	52.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-2.92		Relay (1.0) Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	124.770	ml/mol	McGowan Calculated Property
Pc	3117.52	kPa	Joback Calculated Property
I	[1377.00; 1404.00]
I	1377.00		NIST
I	1404.00		NIST
I	1377.00		NIST
Tboil	458.43	K	Relay (1.0) Calculated Property
Tc	648.13	K	Relay (1.0) Calculated Property
Tfus	204.64	K	Relay (1.0) Calculated Property
Vc	0.441	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.83; 327.76]	J/mol×K	[449.69; 661.33]
Cp,gas	249.83	J/mol×K	449.69	Joback Calculated Property
Cp,gas	264.68	J/mol×K	484.96	Joback Calculated Property
Cp,gas	278.75	J/mol×K	520.24	Joback Calculated Property
Cp,gas	292.06	J/mol×K	555.51	Joback Calculated Property
Cp,gas	304.65	J/mol×K	590.78	Joback Calculated Property
Cp,gas	316.54	J/mol×K	626.06	Joback Calculated Property
Cp,gas	327.76	J/mol×K	661.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Diethyl-2,5-dihydro-thiophene, stereoisomer 1.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.