Chemical Properties of 2-Butyl-1,3-oxothiolane

InChI

InChI=1S/C7H14OS/c1-2-3-4-7-8-5-6-9-7/h7H,2-6H2,1H3

InChI Key

GLHSHWIEAQNAAO-UHFFFAOYSA-N

Formula

C7H14OS

SMILES

CCCCC1OCCS1

Molecular Weight¹

146.25

• 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.
• 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°	-1.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-214.07	kJ/mol	Joback Calculated Property
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	41.75	kJ/mol	Joback Calculated Property
log10WS	-2.23		Crippen Calculated Property
logPoct/wat	2.266		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Pc	3360.64	kPa	Joback Calculated Property
Inp	[1109.00; 1160.00]
Inp	1120.00		NIST
Inp	1124.00		NIST
Inp	1147.00		NIST
Inp	1160.00		NIST
Inp	1120.00		NIST
Inp	1109.00		NIST
Inp	1147.00		NIST
Inp	1109.00		NIST
Tboil	449.62	K	Joback Calculated Property
Tc	659.72	K	Joback Calculated Property
Tfus	289.57	K	Joback Calculated Property
Vc	0.435	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.50; 329.99]	J/mol×K	[449.62; 659.72]
Cp,gas	251.50	J/mol×K	449.62	Joback Calculated Property
Cp,gas	266.49	J/mol×K	484.64	Joback Calculated Property
Cp,gas	280.68	J/mol×K	519.65	Joback Calculated Property
Cp,gas	294.09	J/mol×K	554.67	Joback Calculated Property
Cp,gas	306.76	J/mol×K	589.69	Joback Calculated Property
Cp,gas	318.72	J/mol×K	624.71	Joback Calculated Property
Cp,gas	329.99	J/mol×K	659.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butyl-1,3-oxothiolane.

Sources

• 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.