Chemical Properties of 2-Pentyl-2H-thiapyrane

InChI

InChI=1S/C10H16S/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-10H,2-4,7H2,1H3

InChI Key

WIWJPSVDDXGSQF-UHFFFAOYSA-N

Formula

C10H16S

SMILES

CCCCCC1C=CC=CS1

Molecular Weight¹

168.30

Other Names

• 2-pentyl-(2H)-thiapyran
• 2-pentylthiapyran

• 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°	157.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.59	kJ/mol	Joback Calculated Property
ΔfusH°	19.59	kJ/mol	Joback Calculated Property
ΔvapH°	44.68	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	3.752		Crippen Calculated Property
McVol	148.650	ml/mol	McGowan Calculated Property
Pc	2749.78	kPa	Joback Calculated Property
Inp	[1317.00; 1344.00]
Inp	1337.00		NIST
Inp	1328.00		NIST
Inp	1329.00		NIST
Inp	1344.00		NIST
Inp	1317.00		NIST
I	1700.00		NIST
Tboil	493.90	K	Joback Calculated Property
Tc	708.45	K	Joback Calculated Property
Tfus	294.81	K	Joback Calculated Property
Vc	0.546	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.98; 408.17]	J/mol×K	[493.90; 708.45]
Cp,gas	319.98	J/mol×K	493.90	Joback Calculated Property
Cp,gas	336.99	J/mol×K	529.66	Joback Calculated Property
Cp,gas	353.02	J/mol×K	565.42	Joback Calculated Property
Cp,gas	368.12	J/mol×K	601.17	Joback Calculated Property
Cp,gas	382.32	J/mol×K	636.93	Joback Calculated Property
Cp,gas	395.66	J/mol×K	672.69	Joback Calculated Property
Cp,gas	408.17	J/mol×K	708.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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