Chemical Properties of 2-Butyl-4-methyl-1,3-dithiolane

InChI

InChI=1S/C8H16S2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3

InChI Key

IHIDAFFUACTHDJ-UHFFFAOYSA-N

Formula

C8H16S2

SMILES

CCCCC1SCC(C)S1

Molecular Weight¹

176.34

• 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	0.3219		Relay (1.0) Calculated Property
ΔfG°	125.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-103.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.80	kJ/mol	Joback Calculated Property
ΔvapH°	60.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-3.43		Relay (1.0) Calculated Property
logPoct/wat	3.371		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Pc	2918.68	kPa	Joback Calculated Property
Inp	[1320.00; 1368.00]
Inp	1324.00		NIST
Inp	1332.00		NIST
Inp	1350.00		NIST
Inp	1368.00		NIST
Inp	1324.00		NIST
Inp	1320.00		NIST
Inp	1361.00		NIST
Inp	1320.00		NIST
Inp	1324.00		NIST
Tboil	505.92	K	Relay (1.0) Calculated Property
Tc	710.80	K	Relay (1.0) Calculated Property
Tfus	246.88	K	Relay (1.0) Calculated Property
Vc	0.513	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.30; 400.30]	J/mol×K	[488.71; 710.71]
Cp,gas	312.30	J/mol×K	488.71	Joback Calculated Property
Cp,gas	329.20	J/mol×K	525.71	Joback Calculated Property
Cp,gas	345.16	J/mol×K	562.71	Joback Calculated Property
Cp,gas	360.21	J/mol×K	599.71	Joback Calculated Property
Cp,gas	374.40	J/mol×K	636.71	Joback Calculated Property
Cp,gas	387.75	J/mol×K	673.71	Joback Calculated Property
Cp,gas	400.30	J/mol×K	710.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butyl-4-methyl-1,3-dithiolane.

Sources

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

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