Chemical Properties of Diethylmalonic acid, 2-methylthiophenyl propyl ester

InChI

InChI=1S/C17H24O4S/c1-5-12-20-15(18)17(6-2,7-3)16(19)21-13-10-8-9-11-14(13)22-4/h8-11H,5-7,12H2,1-4H3

InChI Key

ANWMJFDTXABQTR-UHFFFAOYSA-N

Formula

C17H24O4S

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC

Molecular Weight¹

324.44

• 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°	-236.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-625.63	kJ/mol	Joback Calculated Property
ΔfusH°	35.73	kJ/mol	Joback Calculated Property
ΔvapH°	80.21	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	4.073		Crippen Calculated Property
McVol	257.860	ml/mol	McGowan Calculated Property
Pc	1727.46	kPa	Joback Calculated Property
Inp	[2189.00; 2189.00]
Inp	2189.00		NIST
Inp	2189.00		NIST
Tboil	838.15	K	Joback Calculated Property
Tc	1059.72	K	Joback Calculated Property
Tfus	501.43	K	Joback Calculated Property
Vc	0.971	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.18; 832.49]	J/mol×K	[838.15; 1059.72]
Cp,gas	763.18	J/mol×K	838.15	Joback Calculated Property
Cp,gas	777.71	J/mol×K	875.08	Joback Calculated Property
Cp,gas	791.01	J/mol×K	912.01	Joback Calculated Property
Cp,gas	803.10	J/mol×K	948.93	Joback Calculated Property
Cp,gas	814.03	J/mol×K	985.86	Joback Calculated Property
Cp,gas	823.81	J/mol×K	1022.79	Joback Calculated Property
Cp,gas	832.49	J/mol×K	1059.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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