Chemical Properties of 4,5-dimethyl-1,3-dithiolane

InChI

InChI=1S/C5H10S2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3

InChI Key

VDKQRNZRLREXBM-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

CC1SCSC1C

Molecular Weight¹

134.26

Other Names

• 4,5-Dimethyl-1,3-dithiolan

• 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	0.2380		Relay (1.0) Calculated Property
ΔfG°	99.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-51.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.03	kJ/mol	Joback Calculated Property
ΔvapH°	54.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-1.89		Relay (1.0) Calculated Property
logPoct/wat	2.201		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Pc	4093.38	kPa	Joback Calculated Property
Inp	[1090.00; 1090.00]
Inp	1090.00		NIST
Inp	1090.00		NIST
Inp	1090.00		NIST
Tboil	463.86	K	Relay (1.0) Calculated Property
Tc	671.79	K	Relay (1.0) Calculated Property
Tfus	306.71	K	Relay (1.0) Calculated Property
Vc	0.345	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.50; 256.56]	J/mol×K	[420.07; 652.62]
Cp,gas	187.50	J/mol×K	420.07	Joback Calculated Property
Cp,gas	200.81	J/mol×K	458.83	Joback Calculated Property
Cp,gas	213.36	J/mol×K	497.59	Joback Calculated Property
Cp,gas	225.19	J/mol×K	536.35	Joback Calculated Property
Cp,gas	236.31	J/mol×K	575.10	Joback Calculated Property
Cp,gas	246.76	J/mol×K	613.86	Joback Calculated Property
Cp,gas	256.56	J/mol×K	652.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-dimethyl-1,3-dithiolane.

Sources

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

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