Chemical Properties of Dimethylmalonic acid, 3-nitrophenyl octyl ester

Dimethylmalonic acid, 3-nitrophenyl octyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C19H27NO6/c1-4-5-6-7-8-9-13-25-17(21)19(2,3)18(22)26-16-12-10-11-15(14-16)20(23)24/h10-12,14H,4-9,13H2,1-3H3
InChI Key
HSUGNIVJFMUHOO-UHFFFAOYSA-N
Formula
C19H27NO6
SMILES
CCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
365.42
Sources

Physical Properties

Property Value Unit Source
Δf -217.57 kJ/mol Joback Calculated Property
Δfgas -719.54 kJ/mol Joback Calculated Property
Δfus 48.14 kJ/mol Joback Calculated Property
Δvap 94.43 kJ/mol Joback Calculated Property
logPoct/wat 4.43 Crippen Calculated Property
Pc 1475.88 kPa Joback Calculated Property
Tboil 966.97 K Joback Calculated Property
Tc 1194.79 K Joback Calculated Property
Tfus 633.18 K Joback Calculated Property
Vc 1.11 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 929.61 J/mol×K 966.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 7
>C< 1
-CH3 3

Similar Compounds

Dimethylmalonic acid, heptyl 3-nitrophenyl ester. Dimethylmalonic acid, hexyl 3-nitrophenyl ester. Dimethylmalonic acid, 3-nitrophenyl pentyl ester. Dimethylmalonic acid, isohexyl 3-nitrophenyl ester. Dimethylmalonic acid, butyl 3-nitrophenyl ester. Dimethylmalonic acid, 3-nitrophenyl propyl ester. Dimethylmalonic acid, isobutyl 3-nitrophenyl ester. Dimethylmalonic acid, ethyl 3-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl pentyl ester. Diethylmalonic acid, butyl 3-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl propyl ester. Diethylmalonic acid, isobutyl 3-nitrophenyl ester. Dimethylmalonic acid, di(3-nitrophenyl) ester. Diethylmalonic acid, 4-nitrophenyl octyl ester. Diethylmalonic acid, 4-nitrophenyl nonyl ester.

Find more compounds similar to Dimethylmalonic acid, 3-nitrophenyl octyl ester.

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.