Chemical Properties of Glutaric acid, di(2-(methylthio)phenyl) ester

InChI

InChI=1S/C19H20O4S2/c1-24-16-10-5-3-8-14(16)22-18(20)12-7-13-19(21)23-15-9-4-6-11-17(15)25-2/h3-6,8-11H,7,12-13H2,1-2H3

InChI Key

GDVGOLMFSKRRML-UHFFFAOYSA-N

Formula

C19H20O4S2

SMILES

CSc1ccccc1OC(=O)CCCC(=O)Oc1ccccc1SC

Molecular Weight¹

376.49

• 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	0.8520		Relay (1.0) Calculated Property
ΔfG°	-86.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-539.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.10	kJ/mol	Joback Calculated Property
ΔvapH°	115.88	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-4.66		Relay (1.0) Calculated Property
logPoct/wat	4.812		Crippen Calculated Property
McVol	278.630	ml/mol	McGowan Calculated Property
Pc	1916.94	kPa	Joback Calculated Property
Inp	[3315.00; 3315.00]
Inp	3315.00		NIST
Inp	3315.00		NIST
Tboil	680.34	K	Relay (1.0) Calculated Property
Tc	934.46	K	Relay (1.0) Calculated Property
Tfus	367.68	K	Relay (1.0) Calculated Property
Vc	0.971	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[821.57; 854.32]	J/mol×K	[987.58; 1239.41]
Cp,gas	821.57	J/mol×K	987.58	Joback Calculated Property
Cp,gas	831.34	J/mol×K	1029.55	Joback Calculated Property
Cp,gas	839.37	J/mol×K	1071.52	Joback Calculated Property
Cp,gas	845.67	J/mol×K	1113.50	Joback Calculated Property
Cp,gas	850.25	J/mol×K	1155.47	Joback Calculated Property
Cp,gas	853.13	J/mol×K	1197.44	Joback Calculated Property
Cp,gas	854.32	J/mol×K	1239.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-(methylthio)phenyl) ester.

Sources

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

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