Chemical Properties of Dimethylmalonic acid, isobutyl undecyl ester

InChI

InChI=1S/C20H38O4/c1-6-7-8-9-10-11-12-13-14-15-23-18(21)20(4,5)19(22)24-16-17(2)3/h17H,6-16H2,1-5H3

InChI Key

XJEZPQUBHIVLKO-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(C)C

Molecular Weight¹

342.51

• 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).
• IE : Ionization energy (eV).
• 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	-1088.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.36	kJ/mol	Joback Calculated Property
ΔvapH°	89.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	5.286		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1039.91	kPa	Joback Calculated Property
Inp	[2099.00; 2099.00]
Inp	2099.00		NIST
Inp	2099.00		NIST
Tboil	584.66	K	Relay (1.0) Calculated Property
Tc	775.85	K	Relay (1.0) Calculated Property
Tfus	265.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[953.83; 1049.65]	J/mol×K	[769.97; 951.03]
Cp,gas	953.83	J/mol×K	769.97	Joback Calculated Property
Cp,gas	972.47	J/mol×K	800.15	Joback Calculated Property
Cp,gas	990.00	J/mol×K	830.32	Joback Calculated Property
Cp,gas	1006.45	J/mol×K	860.50	Joback Calculated Property
Cp,gas	1021.86	J/mol×K	890.68	Joback Calculated Property
Cp,gas	1036.24	J/mol×K	920.86	Joback Calculated Property
Cp,gas	1049.65	J/mol×K	951.03	Joback Calculated Property
η	[0.0000315; 0.0020473]	Pa×s	[387.24; 769.97]
η	0.0020473	Pa×s	387.24	Joback Calculated Property
η	0.0006244	Pa×s	451.03	Joback Calculated Property
η	0.0002556	Pa×s	514.82	Joback Calculated Property
η	0.0001274	Pa×s	578.61	Joback Calculated Property
η	0.0000729	Pa×s	642.39	Joback Calculated Property
η	0.0000462	Pa×s	706.18	Joback Calculated Property
η	0.0000315	Pa×s	769.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isobutyl undecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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