Chemical Properties of Diethylmalonic acid, dodecyl 2-methylthiophenyl ester

InChI

InChI=1S/C26H42O4S/c1-5-8-9-10-11-12-13-14-15-18-21-29-24(27)26(6-2,7-3)25(28)30-22-19-16-17-20-23(22)31-4/h16-17,19-20H,5-15,18,21H2,1-4H3

InChI Key

UOSNZMOAEZPPFA-UHFFFAOYSA-N

Formula

C26H42O4S

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC

Molecular Weight¹

450.67

• 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°	-161.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.39	kJ/mol	Joback Calculated Property
ΔfusH°	59.04	kJ/mol	Joback Calculated Property
ΔvapH°	100.24	kJ/mol	Joback Calculated Property
log10WS	-8.27		Crippen Calculated Property
logPoct/wat	7.584		Crippen Calculated Property
McVol	384.670	ml/mol	McGowan Calculated Property
Pc	935.20	kPa	Joback Calculated Property
Inp	[3065.00; 3065.00]
Inp	3065.00		NIST
Inp	3065.00		NIST
Tboil	1044.07	K	Joback Calculated Property
Tc	1278.37	K	Joback Calculated Property
Tfus	602.86	K	Joback Calculated Property
Vc	1.474	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1301.63; 1371.48]	J/mol×K	[1044.07; 1278.37]
Cp,gas	1301.63	J/mol×K	1044.07	Joback Calculated Property
Cp,gas	1317.04	J/mol×K	1083.12	Joback Calculated Property
Cp,gas	1330.83	J/mol×K	1122.17	Joback Calculated Property
Cp,gas	1343.10	J/mol×K	1161.22	Joback Calculated Property
Cp,gas	1353.91	J/mol×K	1200.27	Joback Calculated Property
Cp,gas	1363.35	J/mol×K	1239.32	Joback Calculated Property
Cp,gas	1371.48	J/mol×K	1278.37	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.