Chemical Properties of Malonic acid, 2,4-dimethylpent-3-yl pentadecyl ester

InChI

InChI=1S/C25H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-23(26)20-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3

InChI Key

WDLZOUHUZISWNT-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CC(=O)OC(C(C)C)C(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	-1188.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.51	kJ/mol	Joback Calculated Property
ΔvapH°	117.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.85		Relay (1.0) Calculated Property
logPoct/wat	7.235		Crippen Calculated Property
McVol	377.990	ml/mol	McGowan Calculated Property
Pc	815.39	kPa	Joback Calculated Property
Inp	[2670.00; 2670.00]
Inp	2670.00		NIST
Inp	2670.00		NIST
Tboil	637.27	K	Relay (1.0) Calculated Property
Tc	821.37	K	Relay (1.0) Calculated Property
Tfus	250.32	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	[1282.35; 1382.68]	J/mol×K	[922.66; 1130.87]
Cp,gas	1282.35	J/mol×K	922.66	Joback Calculated Property
Cp,gas	1302.76	J/mol×K	957.36	Joback Calculated Property
Cp,gas	1321.65	J/mol×K	992.06	Joback Calculated Property
Cp,gas	1339.04	J/mol×K	1026.76	Joback Calculated Property
Cp,gas	1354.98	J/mol×K	1061.46	Joback Calculated Property
Cp,gas	1369.52	J/mol×K	1096.16	Joback Calculated Property
Cp,gas	1382.68	J/mol×K	1130.87	Joback Calculated Property
η	[0.0000192; 0.0007421]	Pa×s	[470.83; 922.66]
η	0.0007421	Pa×s	470.83	Joback Calculated Property
η	0.0002651	Pa×s	546.13	Joback Calculated Property
η	0.0001216	Pa×s	621.44	Joback Calculated Property
η	0.0000660	Pa×s	696.75	Joback Calculated Property
η	0.0000403	Pa×s	772.05	Joback Calculated Property
η	0.0000269	Pa×s	847.36	Joback Calculated Property
η	0.0000192	Pa×s	922.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2,4-dimethylpent-3-yl 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.