Chemical Properties of Diethylmalonic acid, isopropyl tridecyl ester

InChI

InChI=1S/C23H44O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-26-21(24)23(7-2,8-3)22(25)27-20(4)5/h20H,6-19H2,1-5H3

InChI Key

YVOWDURTQIBGBE-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C

Molecular Weight¹

384.59

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1127.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.96	kJ/mol	Joback Calculated Property
ΔvapH°	104.98	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.06		Relay (1.0) Calculated Property
logPoct/wat	6.599		Crippen Calculated Property
McVol	349.810	ml/mol	McGowan Calculated Property
Pc	914.39	kPa	Joback Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST
Tboil	603.37	K	Relay (1.0) Calculated Property
Tc	798.39	K	Relay (1.0) Calculated Property
Tfus	283.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1155.24; 1253.82]	J/mol×K	[874.55; 1070.98]
Cp,gas	1155.24	J/mol×K	874.55	Joback Calculated Property
Cp,gas	1174.64	J/mol×K	907.29	Joback Calculated Property
Cp,gas	1192.79	J/mol×K	940.03	Joback Calculated Property
Cp,gas	1209.75	J/mol×K	972.76	Joback Calculated Property
Cp,gas	1225.54	J/mol×K	1005.50	Joback Calculated Property
Cp,gas	1240.21	J/mol×K	1038.24	Joback Calculated Property
Cp,gas	1253.82	J/mol×K	1070.98	Joback Calculated Property
η	[0.0000245; 0.0006448]	Pa×s	[480.71; 874.55]
η	0.0006448	Pa×s	480.71	Joback Calculated Property
η	0.0002695	Pa×s	546.35	Joback Calculated Property
η	0.0001358	Pa×s	611.99	Joback Calculated Property
η	0.0000781	Pa×s	677.63	Joback Calculated Property
η	0.0000496	Pa×s	743.27	Joback Calculated Property
η	0.0000339	Pa×s	808.91	Joback Calculated Property
η	0.0000245	Pa×s	874.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isopropyl tridecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.