Chemical Properties of Malonic acid, 2-methylpent-3-yl undecyl ester

InChI

InChI=1S/C20H38O4/c1-5-7-8-9-10-11-12-13-14-15-23-19(21)16-20(22)24-18(6-2)17(3)4/h17-18H,5-16H2,1-4H3

InChI Key

ZRSODCHYACMEDD-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCCCCCCCOC(=O)CC(=O)OC(CC)C(C)C

Molecular Weight¹

342.52

• 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	-1096.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.08	kJ/mol	Joback Calculated Property
ΔvapH°	101.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	5.428		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1089.22	kPa	Joback Calculated Property
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	604.28	K	Relay (1.0) Calculated Property
Tc	783.32	K	Relay (1.0) Calculated Property
Tfus	229.80	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	[970.14; 1064.82]	J/mol×K	[808.70; 994.02]
Cp,gas	970.14	J/mol×K	808.70	Joback Calculated Property
Cp,gas	988.55	J/mol×K	839.59	Joback Calculated Property
Cp,gas	1005.89	J/mol×K	870.47	Joback Calculated Property
Cp,gas	1022.17	J/mol×K	901.36	Joback Calculated Property
Cp,gas	1037.40	J/mol×K	932.24	Joback Calculated Property
Cp,gas	1051.61	J/mol×K	963.13	Joback Calculated Property
Cp,gas	1064.82	J/mol×K	994.02	Joback Calculated Property
η	[0.0000449; 0.0011959]	Pa×s	[429.48; 808.70]
η	0.0011959	Pa×s	429.48	Joback Calculated Property
η	0.0004873	Pa×s	492.68	Joback Calculated Property
η	0.0002435	Pa×s	555.89	Joback Calculated Property
η	0.0001402	Pa×s	619.09	Joback Calculated Property
η	0.0000894	Pa×s	682.29	Joback Calculated Property
η	0.0000615	Pa×s	745.50	Joback Calculated Property
η	0.0000449	Pa×s	808.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2-methylpent-3-yl undecyl 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.