Chemical Properties of 4-Methyl-2-propyl-1,3-dithiolane

InChI

InChI=1S/C7H14S2/c1-3-4-7-8-5-6(2)9-7/h6-7H,3-5H2,1-2H3

InChI Key

QTQGHUYMHBCNSH-UHFFFAOYSA-N

Formula

C7H14S2

SMILES

CCCC1SCC(C)S1

Molecular Weight¹

162.32

Other Names

• 2-propyl-4-methyl-1,3-dithiolane

• 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	0.2809		Relay (1.0) Calculated Property
ΔfG°	116.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.21	kJ/mol	Joback Calculated Property
ΔvapH°	58.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	2.981		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3246.73	kPa	Joback Calculated Property
Inp	[1217.00; 1270.00]
Inp	1225.00		NIST
Inp	1236.00		NIST
Inp	1252.00		NIST
Inp	1270.00		NIST
Inp	1225.00		NIST
Inp	1217.00		NIST
Inp	1254.00		NIST
Tboil	487.88	K	Relay (1.0) Calculated Property
Tc	697.00	K	Relay (1.0) Calculated Property
Tfus	238.43	K	Relay (1.0) Calculated Property
Vc	0.457	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.62; 351.16]	J/mol×K	[465.83; 691.45]
Cp,gas	268.62	J/mol×K	465.83	Joback Calculated Property
Cp,gas	284.49	J/mol×K	503.43	Joback Calculated Property
Cp,gas	299.47	J/mol×K	541.04	Joback Calculated Property
Cp,gas	313.60	J/mol×K	578.64	Joback Calculated Property
Cp,gas	326.90	J/mol×K	616.25	Joback Calculated Property
Cp,gas	339.41	J/mol×K	653.85	Joback Calculated Property
Cp,gas	351.16	J/mol×K	691.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-2-propyl-1,3-dithiolane.

Sources

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

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