Chemical Properties of Diethylmalonic acid, 2-methylthiophenyl nonyl ester

InChI

InChI=1S/C23H36O4S/c1-5-8-9-10-11-12-15-18-26-21(24)23(6-2,7-3)22(25)27-19-16-13-14-17-20(19)28-4/h13-14,16-17H,5-12,15,18H2,1-4H3

InChI Key

ZOMSKPCGXGZNIL-UHFFFAOYSA-N

Formula

C23H36O4S

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC

Molecular Weight¹

408.60

• 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°	-186.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-749.47	kJ/mol	Joback Calculated Property
ΔfusH°	51.27	kJ/mol	Joback Calculated Property
ΔvapH°	93.56	kJ/mol	Joback Calculated Property
log10WS	-7.01		Crippen Calculated Property
logPoct/wat	6.414		Crippen Calculated Property
McVol	342.400	ml/mol	McGowan Calculated Property
Pc	1124.57	kPa	Joback Calculated Property
Inp	[2759.00; 2759.00]
Inp	2759.00		NIST
Inp	2759.00		NIST
Tboil	975.43	K	Joback Calculated Property
Tc	1197.51	K	Joback Calculated Property
Tfus	569.05	K	Joback Calculated Property
Vc	1.306	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1117.30; 1187.36]	J/mol×K	[975.43; 1197.51]
Cp,gas	1117.30	J/mol×K	975.43	Joback Calculated Property
Cp,gas	1132.35	J/mol×K	1012.44	Joback Calculated Property
Cp,gas	1145.97	J/mol×K	1049.46	Joback Calculated Property
Cp,gas	1158.22	J/mol×K	1086.47	Joback Calculated Property
Cp,gas	1169.17	J/mol×K	1123.48	Joback Calculated Property
Cp,gas	1178.86	J/mol×K	1160.49	Joback Calculated Property
Cp,gas	1187.36	J/mol×K	1197.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-methylthiophenyl nonyl ester.

Sources

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

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