Chemical Properties of Naphthalene-1,8-disulfide-S-oxide (CAS 49833-12-7)

InChI

InChI=1S/C10H6OS2/c11-13-9-6-2-4-7-3-1-5-8(12-13)10(7)9/h1-6H

InChI Key

LIRFRPDBUURHNY-UHFFFAOYSA-N

Formula

C10H6OS2

SMILES

O=S1Sc2cccc3cccc1c23

Molecular Weight¹

206.28

CAS

49833-12-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	518.00	J/mol×K	298.00	NIST
ΔfusH	[13.39; 23.30]	kJ/mol	[363.00; 421.20]
ΔfusH	13.39	kJ/mol	363.00	NIST
ΔfusH	23.30	kJ/mol	421.20	NIST
ΔfusS	36.90	J/mol×K	363.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.49; 365.13]	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			-4.35500e+01
Coefficient B			9.87620e-01
Coefficient C			-9.00740e-04
Coefficient D			3.21800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.49	J/mol×K	273.00	Calculated Property
Cp,gas	207.36	J/mol×K	353.78	Calculated Property
Cp,gas	241.94	J/mol×K	434.56	Calculated Property
Cp,gas	270.24	J/mol×K	515.33	Calculated Property
Cp,gas	293.27	J/mol×K	596.11	Calculated Property
Cp,gas	312.06	J/mol×K	676.89	Calculated Property
Cp,gas	327.62	J/mol×K	757.67	Calculated Property
Cp,gas	340.98	J/mol×K	838.44	Calculated Property
Cp,gas	353.14	J/mol×K	919.22	Calculated Property
Cp,gas	365.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene-1,8-disulfide-S-oxide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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