Chemical Properties of 2-Propyl-2H-thiapyrane

InChI

InChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h3-4,6-8H,2,5H2,1H3

InChI Key

DYBCSWILIAFIDP-UHFFFAOYSA-N

Formula

C8H12S

SMILES

CCCC1C=CC=CS1

Molecular Weight¹

140.25

• 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.
• 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	0.2296		Relay (1.0) Calculated Property
ΔfG°	140.71	kJ/mol	Joback Calculated Property
ΔfH°gas	61.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.41	kJ/mol	Joback Calculated Property
ΔvapH°	52.52	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-3.45		Relay (1.0) Calculated Property
logPoct/wat	2.972		Crippen Calculated Property
McVol	120.470	ml/mol	McGowan Calculated Property
Pc	3399.94	kPa	Joback Calculated Property
Inp	[1117.00; 1117.00]
Inp	1117.00		NIST
Inp	1117.00		NIST
I	1487.00		NIST
Tboil	458.67	K	Relay (1.0) Calculated Property
Tc	642.34	K	Relay (1.0) Calculated Property
Tfus	226.98	K	Relay (1.0) Calculated Property
Vc	0.420	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.11; 310.68]	J/mol×K	[448.14; 669.28]
Cp,gas	233.11	J/mol×K	448.14	Joback Calculated Property
Cp,gas	248.13	J/mol×K	485.00	Joback Calculated Property
Cp,gas	262.27	J/mol×K	521.85	Joback Calculated Property
Cp,gas	275.56	J/mol×K	558.71	Joback Calculated Property
Cp,gas	288.04	J/mol×K	595.57	Joback Calculated Property
Cp,gas	299.73	J/mol×K	632.43	Joback Calculated Property
Cp,gas	310.68	J/mol×K	669.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propyl-2H-thiapyrane.

Sources

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

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