Chemical Properties of 2-propyl-1,3-dithiolane

InChI

InChI=1S/C6H12S2/c1-2-3-6-7-4-5-8-6/h6H,2-5H2,1H3

InChI Key

YFPNQWYEDBOBMI-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

CCCC1SCCS1

Molecular Weight¹

148.29

• 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	0.2701		Relay (1.0) Calculated Property
ΔfG°	115.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.54	kJ/mol	Joback Calculated Property
ΔvapH°	57.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	2.593		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	3782.33	kPa	Joback Calculated Property
Inp	[1176.00; 1244.00]
Inp	1188.00		NIST
Inp	1222.00		NIST
Inp	1188.00		NIST
Inp	1202.00		NIST
Inp	1223.00		NIST
Inp	1244.00		NIST
Inp	1188.00		NIST
Inp	1222.00		NIST
Inp	1176.00		NIST
Inp	1229.00		NIST
Inp	1176.00		NIST
Tboil	475.29	K	Relay (1.0) Calculated Property
Tc	693.57	K	Relay (1.0) Calculated Property
Tfus	236.05	K	Relay (1.0) Calculated Property
Vc	0.404	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.17; 299.94]	J/mol×K	[447.62; 677.09]
Cp,gas	226.17	J/mol×K	447.62	Joback Calculated Property
Cp,gas	240.50	J/mol×K	485.86	Joback Calculated Property
Cp,gas	253.96	J/mol×K	524.11	Joback Calculated Property
Cp,gas	266.60	J/mol×K	562.35	Joback Calculated Property
Cp,gas	278.45	J/mol×K	600.60	Joback Calculated Property
Cp,gas	289.55	J/mol×K	638.84	Joback Calculated Property
Cp,gas	299.94	J/mol×K	677.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-propyl-1,3-dithiolane.

Sources

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

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