Chemical Properties of Hexadecane, 2-methyl-1,2-bis(methylthio)

InChI

InChI=1S/C19H40S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,21-4)18-20-3/h5-18H2,1-4H3

InChI Key

BYSOCCVIZUKYQP-UHFFFAOYSA-N

Formula

C19H40S2

SMILES

CCCCCCCCCCCCCCC(C)(CSC)SC

Molecular Weight¹

332.66

• 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).
• 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	0.7725		Relay (1.0) Calculated Property
ΔfG°	178.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-377.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.81	kJ/mol	Joback Calculated Property
ΔvapH°	102.99	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.41		Relay (1.0) Calculated Property
logPoct/wat	7.562		Crippen Calculated Property
McVol	311.270	ml/mol	McGowan Calculated Property
Pc	1119.30	kPa	Joback Calculated Property
Inp	[2438.00; 2438.00]
Inp	2438.00		NIST
Inp	2438.00		NIST
Tboil	613.09	K	Relay (1.0) Calculated Property
Tc	806.98	K	Relay (1.0) Calculated Property
Tfus	274.63	K	Relay (1.0) Calculated Property
Vc	1.137	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[448.09; 1054.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.44000e-01
Coefficient B			1.92346e+00
Coefficient C			-1.10120e-03
Coefficient D			2.31600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	448.09	J/mol×K	273.00	Calculated Property
Cp,gas	553.25	J/mol×K	353.78	Calculated Property
Cp,gas	647.25	J/mol×K	434.56	Calculated Property
Cp,gas	730.82	J/mol×K	515.33	Calculated Property
Cp,gas	804.69	J/mol×K	596.11	Calculated Property
Cp,gas	869.59	J/mol×K	676.89	Calculated Property
Cp,gas	926.27	J/mol×K	757.67	Calculated Property
Cp,gas	975.44	J/mol×K	838.44	Calculated Property
Cp,gas	1017.84	J/mol×K	919.22	Calculated Property
Cp,gas	1054.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecane, 2-methyl-1,2-bis(methylthio).

Sources

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

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