Chemical Properties of Diethylmalonic acid, isopropyl pentadecyl ester

InChI

InChI=1S/C25H48O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-28-23(26)25(7-2,8-3)24(27)29-22(4)5/h22H,6-21H2,1-5H3

InChI Key

GMHNXYJPFPNYFG-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C

Molecular Weight¹

412.65

• 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	-1167.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.14	kJ/mol	Joback Calculated Property
ΔvapH°	112.62	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	7.379		Crippen Calculated Property
McVol	377.990	ml/mol	McGowan Calculated Property
Pc	816.79	kPa	Joback Calculated Property
Inp	[2544.00; 2544.00]
Inp	2544.00		NIST
Inp	2544.00		NIST
Tboil	617.93	K	Relay (1.0) Calculated Property
Tc	813.56	K	Relay (1.0) Calculated Property
Tfus	291.06	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	[1281.45; 1383.09]	J/mol×K	[920.31; 1127.45]
Cp,gas	1281.45	J/mol×K	920.31	Joback Calculated Property
Cp,gas	1301.73	J/mol×K	954.83	Joback Calculated Property
Cp,gas	1320.61	J/mol×K	989.36	Joback Calculated Property
Cp,gas	1338.12	J/mol×K	1023.88	Joback Calculated Property
Cp,gas	1354.33	J/mol×K	1058.41	Joback Calculated Property
Cp,gas	1369.31	J/mol×K	1092.93	Joback Calculated Property
Cp,gas	1383.09	J/mol×K	1127.45	Joback Calculated Property
η	[0.0000178; 0.0004880]	Pa×s	[503.25; 920.31]
η	0.0004880	Pa×s	503.25	Joback Calculated Property
η	0.0002009	Pa×s	572.76	Joback Calculated Property
η	0.0001003	Pa×s	642.27	Joback Calculated Property
η	0.0000573	Pa×s	711.78	Joback Calculated Property
η	0.0000362	Pa×s	781.29	Joback Calculated Property
η	0.0000246	Pa×s	850.80	Joback Calculated Property
η	0.0000178	Pa×s	920.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isopropyl pentadecyl 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.