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

• 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.
• 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	0.3441		Relay (1.0) Calculated Property
ΔfG°	-1.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-228.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	52.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-1.94		Relay (1.0) 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	462.18	K	Relay (1.0) Calculated Property
Tc	669.88	K	Relay (1.0) Calculated Property
Tfus	217.28	K	Relay (1.0) Calculated Property
Vc	0.440	m3/kmol	Relay (1.0) 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

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

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