- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 40.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 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] | 
|
| 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
Find more compounds similar to N-cyanomethyl-beta-iso-butylamino propionic acid, methyl ester.
Sources
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