Chemical Properties of 2-Phenylnaphthylsulfide (CAS 7570-96-9)

InChI

InChI=1S/C16H12S/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H

InChI Key

APWYHOPXAIRDIZ-UHFFFAOYSA-N

Formula

C16H12S

SMILES

c1ccc(Sc2ccc3ccccc3c2)cc1

Molecular Weight¹

236.33

CAS

7570-96-9

• 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
ΔfG°	438.80	kJ/mol	Joback Calculated Property
ΔfH°gas	320.96	kJ/mol	Joback Calculated Property
ΔfusH°	26.04	kJ/mol	Joback Calculated Property
ΔvapH°	64.88	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	4.991		Crippen Calculated Property
McVol	185.670	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Inp	[364.94; 364.94]
Inp	364.94		NIST
Inp	364.94		NIST
Tboil	711.58	K	Joback Calculated Property
Tc	991.64	K	Joback Calculated Property
Tfus	402.54	K	Joback Calculated Property
Vc	0.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.10; 538.84]	J/mol×K	[711.58; 991.64]
Cp,gas	464.10	J/mol×K	711.58	Joback Calculated Property
Cp,gas	479.84	J/mol×K	758.26	Joback Calculated Property
Cp,gas	494.06	J/mol×K	804.93	Joback Calculated Property
Cp,gas	506.91	J/mol×K	851.61	Joback Calculated Property
Cp,gas	518.55	J/mol×K	898.28	Joback Calculated Property
Cp,gas	529.14	J/mol×K	944.96	Joback Calculated Property
Cp,gas	538.84	J/mol×K	991.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenylnaphthylsulfide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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