Chemical Properties of N-cyanomethyl-beta-iso-butylamino propionic acid, methyl ester (CAS 116295-98-8)

N-cyanomethyl-beta-iso-butylamino propionic acid, methyl ester

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InChI
InChI=1S/C10H18N2O2/c1-9(2)8-12(7-5-11)6-4-10(13)14-3/h9H,4,6-8H2,1-3H3
InChI Key
IKDGSHMETZGTKU-UHFFFAOYSA-N
Formula
C10H18N2O2
SMILES
COC(=O)CCN(CC#N)CC(C)C
Molecular Weight1
198.26
CAS
116295-98-8
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Physical Properties

Property Value Unit Source
Δf 40.92 kJ/mol Joback Calculated Property
Δfgas -267.40 kJ/mol Joback Calculated Property
Δfus 25.45 kJ/mol Joback Calculated Property
Δvap 59.14 kJ/mol Joback Calculated Property
log10WS -1.07 Crippen Calculated Property
logPoct/wat 1.031 Crippen Calculated Property
McVol 170.560 ml/mol McGowan Calculated Property
Pc 2161.32 kPa Joback Calculated Property
Tboil 618.57 K Joback Calculated Property
Tc 808.25 K Joback Calculated Property
Tfus 357.08 K Joback Calculated Property
Vc 0.657 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [440.64; 509.61] J/mol×K [618.57; 808.25] Show Hide
Cp,gas 440.64 J/mol×K 618.57 Joback Calculated Property
Cp,gas 453.74 J/mol×K 650.18 Joback Calculated Property
Cp,gas 466.18 J/mol×K 681.80 Joback Calculated Property
Cp,gas 477.97 J/mol×K 713.41 Joback Calculated Property
Cp,gas 489.13 J/mol×K 745.02 Joback Calculated Property
Cp,gas 499.67 J/mol×K 776.63 Joback Calculated Property
Cp,gas 509.61 J/mol×K 808.25 Joback Calculated Property

Similar Compounds

Methyl(n-cyanomethyl-n-methyl)-beta-aminopropionate. N-cyanomethyl-beta-sec-butylamino propionic acid, methyl ester. 1,4-Piperazinedipropionic acid, dimethyl ester. 4-Morpholinepropanoic acid, methyl ester. 1-Piperidinepropanoic acid, ethyl ester. Methyl(n-cyanomethyl-n-benzyl)-beta-aminopropionate. Dihydroarecoline. 1-Piperidinepropanoic acid. 1-Methylpiperidine-3-carboxylic acid ethyl ester. 4-Isobutylmorpholine. Methyl 1-methyl-1,2,3,6-tetrahydropyridine-3-carboxylate. 3-(1-Pyrrolidinyl)tetrahydro-2-furanone. Arecoline. 1H-Pyrrolizine-1-carboxylic acid, hexahydro-, methyl ester. Propanamide, 3-phenyl-N-ethyl-N-isobutyl-.

Find more compounds similar to N-cyanomethyl-beta-iso-butylamino propionic acid, methyl ester.

Sources

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