Chemical Properties of 2-ethyl-(2H)-thiapyran

InChI

InChI=1S/C7H10S/c1-2-7-5-3-4-6-8-7/h3-7H,2H2,1H3

InChI Key

GQGPAOVRSUWPSI-UHFFFAOYSA-N

Formula

C7H10S

SMILES

CCC1C=CC=CS1

Molecular Weight¹

126.22

Other Names

• 2-Ethyl-2H-thiapyrane

• 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_np : Non-polar retention indices.
• 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°	132.29	kJ/mol	Joback Calculated Property
ΔfH°gas	27.33	kJ/mol	Joback Calculated Property
ΔfusH°	11.82	kJ/mol	Joback Calculated Property
ΔvapH°	38.00	kJ/mol	Joback Calculated Property
log10WS	-2.85		Crippen Calculated Property
logPoct/wat	2.582		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property
Pc	3815.10	kPa	Joback Calculated Property
Inp	[1019.00; 1028.00]
Inp	1022.00		NIST
Inp	1028.00		NIST
Inp	1020.00		NIST
Inp	1019.00		NIST
Inp	1020.00		NIST
I	1394.00		NIST
Tboil	425.26	K	Joback Calculated Property
Tc	649.53	K	Joback Calculated Property
Tfus	261.00	K	Joback Calculated Property
Vc	0.379	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.76; 263.80]	J/mol×K	[425.26; 649.53]
Cp,gas	192.76	J/mol×K	425.26	Joback Calculated Property
Cp,gas	206.55	J/mol×K	462.64	Joback Calculated Property
Cp,gas	219.52	J/mol×K	500.02	Joback Calculated Property
Cp,gas	231.70	J/mol×K	537.40	Joback Calculated Property
Cp,gas	243.12	J/mol×K	574.77	Joback Calculated Property
Cp,gas	253.81	J/mol×K	612.15	Joback Calculated Property
Cp,gas	263.80	J/mol×K	649.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-ethyl-(2H)-thiapyran.

Sources

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

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