Chemical Properties of 2,4-Dimethyl-1,3-dithiane

InChI

InChI=1S/C6H12S2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3

InChI Key

XRBWKNMCKYCXOI-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

CC1CCSC(C)S1

Molecular Weight¹

148.29

• 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).
• 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
ΔfG°	96.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-42.67	kJ/mol	Joback Calculated Property
ΔfusH°	11.52	kJ/mol	Joback Calculated Property
ΔvapH°	40.69	kJ/mol	Joback Calculated Property
log10WS	-2.72		Crippen Calculated Property
logPoct/wat	2.591		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	3745.38	kPa	Joback Calculated Property
Inp	[1140.00; 1179.00]
Inp	1140.00		NIST
Inp	1179.00		NIST
Inp	1140.00		NIST
Tboil	447.22	K	Joback Calculated Property
Tc	686.04	K	Joback Calculated Property
Tfus	327.42	K	Joback Calculated Property
Vc	0.396	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.86; 307.49]	J/mol×K	[447.22; 686.04]
Cp,gas	225.86	J/mol×K	447.22	Joback Calculated Property
Cp,gas	241.60	J/mol×K	487.02	Joback Calculated Property
Cp,gas	256.46	J/mol×K	526.83	Joback Calculated Property
Cp,gas	270.45	J/mol×K	566.63	Joback Calculated Property
Cp,gas	283.61	J/mol×K	606.43	Joback Calculated Property
Cp,gas	295.94	J/mol×K	646.23	Joback Calculated Property
Cp,gas	307.49	J/mol×K	686.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dimethyl-1,3-dithiane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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