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

• 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

Property	Value	Unit	Source
ΔfH°gas	133.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.38	kJ/mol	Joback Calculated Property
ΔvapH°	83.48	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	841.00	K	Relay (1.0) Calculated Property
Tfus	362.75	K	Relay (1.0) Calculated Property
Vc	0.588	m3/kmol	Relay (1.0) Calculated Property

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	[207.90; 476.21]	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			-5.57000e+00
Coefficient B			9.31020e-01
Coefficient C			-5.82440e-04
Coefficient D			1.33200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.90	J/mol×K	273.00	Calculated Property
Cp,gas	256.80	J/mol×K	353.78	Calculated Property
Cp,gas	299.95	J/mol×K	434.56	Calculated Property
Cp,gas	337.77	J/mol×K	515.33	Calculated Property
Cp,gas	370.67	J/mol×K	596.11	Calculated Property
Cp,gas	399.08	J/mol×K	676.89	Calculated Property
Cp,gas	423.41	J/mol×K	757.67	Calculated Property
Cp,gas	444.10	J/mol×K	838.44	Calculated Property
Cp,gas	461.56	J/mol×K	919.22	Calculated Property
Cp,gas	476.21	J/mol×K	1000.00	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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