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

• 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°	113.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.40	kJ/mol	Joback Calculated Property
ΔfusH°	14.90	kJ/mol	Joback Calculated Property
ΔvapH°	40.42	kJ/mol	Joback Calculated Property
log10WS	-2.92		Crippen 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	449.69	K	Joback Calculated Property
Tc	661.33	K	Joback Calculated Property
Tfus	287.55	K	Joback Calculated Property
Vc	0.457	m3/kmol	Joback 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

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

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