Chemical Properties of Sulindac sulfide

InChI

InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-

InChI Key

LFWHFZJPXXOYNR-MFOYZWKCSA-N

Formula

C20H17FO2S

SMILES

CSc1ccc(C=C2C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1

Molecular Weight¹

340.41

• 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).
• 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
ω	0.8217		Relay (1.0) Calculated Property
ΔfG°	10.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.20	kJ/mol	Joback Calculated Property
ΔvapH°	136.20	kJ/mol	Relay (1.0) Calculated Property
IE	7.19	eV	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	5.350		Crippen Calculated Property
McVol	251.240	ml/mol	McGowan Calculated Property
Pc	2073.65	kPa	Joback Calculated Property
Inp	[2896.00; 2896.00]
Inp	2896.00		NIST
Inp	2896.00		NIST
Tboil	713.73	K	Relay (1.0) Calculated Property
Tc	1007.82	K	Relay (1.0) Calculated Property
Tfus	452.99	K	Relay (1.0) Calculated Property
Vc	0.850	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.52; 797.61]	J/mol×K	[966.57; 1203.04]
Cp,gas	738.52	J/mol×K	966.57	Joback Calculated Property
Cp,gas	749.69	J/mol×K	1005.98	Joback Calculated Property
Cp,gas	760.20	J/mol×K	1045.39	Joback Calculated Property
Cp,gas	770.16	J/mol×K	1084.80	Joback Calculated Property
Cp,gas	779.64	J/mol×K	1124.21	Joback Calculated Property
Cp,gas	788.76	J/mol×K	1163.62	Joback Calculated Property
Cp,gas	797.61	J/mol×K	1203.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sulindac sulfide.

Sources

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

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