Chemical Properties of Hexanoic acid, 6-(carboxyamino)-, n-benzyl ester

Hexanoic acid, 6-(carboxyamino)-, n-benzyl ester

InChI
InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)
InChI Key
RXQDBVWDABAAHL-UHFFFAOYSA-N
Formula
C14H19NO4
SMILES
O=C(O)CCCCCNC(=O)OCc1ccccc1
Molecular Weight1
265.31
Other Names
  • 6-[[(phenylmethoxy)carbonyl]amino]hexanoic acid
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 45.67 kJ/mol Joback Calculated Property
ΔvapH° 123.01 kJ/mol Relay (1.0) Calculated Property
IE 8.82 eV Relay (1.0) Calculated Property
log10WS -2.52 Relay (1.0) Calculated Property
logPoct/wat 2.558 Crippen Calculated Property
McVol 209.220 ml/mol McGowan Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Tboil 613.28 K Relay (1.0) Calculated Property
Tfus 344.68 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [291.36; 678.86] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.49440e+01
Coefficient B1.32710e+00
Coefficient C-7.95600e-04
Coefficient D1.62300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 291.36 J/mol×K 273.00 Calculated Property
Cp,gas 362.16 J/mol×K 353.78 Calculated Property
Cp,gas 424.83 J/mol×K 434.56 Calculated Property
Cp,gas 479.88 J/mol×K 515.33 Calculated Property
Cp,gas 527.82 J/mol×K 596.11 Calculated Property
Cp,gas 569.16 J/mol×K 676.89 Calculated Property
Cp,gas 604.43 J/mol×K 757.67 Calculated Property
Cp,gas 634.12 J/mol×K 838.44 Calculated Property
Cp,gas 658.76 J/mol×K 919.22 Calculated Property
Cp,gas 678.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, isobutyl ester. 3-Piperidinecarbamic acid, 2,6-dioxo-, benzyl ester, (dl). Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, butyl ester. Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, pentyl ester. Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, propyl ester. Pipradrol. Benzoic acid, 4-[1-hydroxy-2-(2-oxopyrrolidino)hexyl]-, ethyl ester. famotidine. N-Z-L-Homoserine lactone. 2'-Deoxyinosine, tris(tert-butyldimethylsilyl) derivative. vasicinone. S-(-)-1,1-diphenylprolinol. (R)-Alpha-(2-pyrrolidinyl)benzhydryl alcohol. Phenindamine M (nor, OH), acetylated. Hydroxyaphyllidine.

Find more compounds similar to Hexanoic acid, 6-(carboxyamino)-, n-benzyl ester.

Sources

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.