Chemical Properties of Naphthalene, 1,4-bis(methylthio)- (CAS 10075-73-7)

InChI

InChI=1S/C12H12S2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-8H,1-2H3

InChI Key

ZYYGYYVWYHXYOF-UHFFFAOYSA-N

Formula

C12H12S2

SMILES

CSc1ccc(SC)c2ccccc12

Molecular Weight¹

220.35

CAS

10075-73-7

• 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).
• 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	0.4229		Relay (1.0) Calculated Property
ΔfG°	316.20	kJ/mol	Joback Calculated Property
ΔfH°gas	133.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.38	kJ/mol	Joback Calculated Property
ΔvapH°	83.52	kJ/mol	Relay (1.0) Calculated Property
IE	[7.58; 7.58]	eV
IE	7.58	eV	NIST
IE	7.58	eV	NIST
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	4.284		Crippen Calculated Property
McVol	169.420	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Tboil	616.48	K	Relay (1.0) Calculated Property
Tc	840.22	K	Relay (1.0) Calculated Property
Tfus	369.04	K	Relay (1.0) Calculated Property
Vc	0.589	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.87; 465.07]	J/mol×K	[667.14; 937.30]
Cp,gas	395.87	J/mol×K	667.14	Joback Calculated Property
Cp,gas	410.18	J/mol×K	712.17	Joback Calculated Property
Cp,gas	423.28	J/mol×K	757.19	Joback Calculated Property
Cp,gas	435.25	J/mol×K	802.22	Joback Calculated Property
Cp,gas	446.15	J/mol×K	847.25	Joback Calculated Property
Cp,gas	456.07	J/mol×K	892.28	Joback Calculated Property
Cp,gas	465.07	J/mol×K	937.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,4-bis(methylthio)-.

Sources

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

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