Chemical Properties of 1,1'-Dithiodi-2-naphthol (CAS 42521-82-4)

InChI

InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H

InChI Key

RFAXLXKIAKIUDT-UHFFFAOYSA-N

Formula

C20H14O2S2

SMILES

Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12

Molecular Weight¹

350.45

CAS

42521-82-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.13; 724.47]	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			-9.60300e+01
Coefficient B			1.91758e+00
Coefficient C			-1.69828e-03
Coefficient D			6.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.13	J/mol×K	273.00	Calculated Property
Cp,gas	396.43	J/mol×K	353.78	Calculated Property
Cp,gas	465.90	J/mol×K	434.56	Calculated Property
Cp,gas	523.43	J/mol×K	515.33	Calculated Property
Cp,gas	570.93	J/mol×K	596.11	Calculated Property
Cp,gas	610.30	J/mol×K	676.89	Calculated Property
Cp,gas	643.43	J/mol×K	757.67	Calculated Property
Cp,gas	672.24	J/mol×K	838.44	Calculated Property
Cp,gas	698.62	J/mol×K	919.22	Calculated Property
Cp,gas	724.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Dithiodi-2-naphthol.

Sources

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

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