Chemical Properties of Hippuric acid di-methyl derivative (CAS 71533-21-6)

Hippuric acid di-methyl derivative

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

InChI
InChI=1S/C11H13NO3/c1-12(8-10(13)15-2)11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key
VJKASHDUZIYFTQ-UHFFFAOYSA-N
Formula
C11H13NO3
SMILES
COC(=O)CN(C)C(=O)c1ccccc1
Molecular Weight1
207.23
CAS
71533-21-6
Other Names
  • Hippuric acid di-methyl derivative
Sources

Physical Properties

Property Value Unit Source
Δf -97.91 kJ/mol Joback Calculated Property
Δfgas -323.69 kJ/mol Joback Calculated Property
Δfus 25.69 kJ/mol Joback Calculated Property
Δvap 60.30 kJ/mol Joback Calculated Property
logPoct/wat 0.93 Crippen Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Tboil 620.36 K Joback Calculated Property
Tc 834.16 K Joback Calculated Property
Tfus 394.71 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 399.97 J/mol×K 620.36 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 5
-CH2- 1
=C< (ring) 1
>N- 1
-CH3 2

Similar Compounds

Sarcosine, n-(4-methylbenzoyl)-, ethyl ester. Sarcosine, n-(4-chlorobenzoyl)-, ethyl ester. Sarcosine, n-(4-bromobenzoyl)-, ethyl ester. Sarcosine, n-(4-fluorobenzoyl)-, ethyl ester. Sarcosine, n-(4-bromobenzoyl)-, propyl ester. Sarcosine, n-(4-methylbenzoyl)-, pentyl ester. Sarcosine, n-(4-methylbenzoyl)-, hexyl ester. Sarcosine, N-(4-fluorobenzoyl)-, propyl ester. Sarcosine, n-(4-methylbenzoyl)-, heptyl ester. Sarcosine, N-(4-methylbenzoyl)-, tetradecyl ester. Sarcosine, N-(4-methylbenzoyl)-, nonyl ester. Sarcosine, N-(4-methylbenzoyl)-, dodecyl ester. Sarcosine, n-(4-methylbenzoyl)-, undecyl ester. Sarcosine, n-(4-bromobenzoyl)-, butyl ester. Sarcosine, n-(4-methylbenzoyl)-, octyl ester.

Find more compounds similar to Hippuric acid di-methyl derivative.

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.