- InChI
- InChI=1S/C11H21NO3/c1-4-5-6-7-8-10(11(14)15-3)12-9(2)13/h10H,4-8H2,1-3H3,(H,12,13)
- InChI Key
- HXEHVYHMGGXHQE-UHFFFAOYSA-N
- Formula
- C11H21NO3
- SMILES
- CCCCCCC(NC(C)=O)C(=O)OC
- Molecular Weight1
- 215.29
- 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).
- Inp : Non-polar retention indices.
- 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° | -234.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 1.635 | Crippen Calculated Property | |
| McVol | 184.840 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | [1539.00; 1539.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Tboil | 630.97 | K | Joback Calculated Property |
| Tc | 815.25 | K | Joback Calculated Property |
| Tfus | 373.48 | K | Joback Calculated Property |
| Vc | 0.711 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.58; 568.15] | J/mol×K | [630.97; 815.25] |
|
| Cp,gas | 492.58 | J/mol×K | 630.97 | Joback Calculated Property |
| Cp,gas | 506.86 | J/mol×K | 661.68 | Joback Calculated Property |
| Cp,gas | 520.46 | J/mol×K | 692.40 | Joback Calculated Property |
| Cp,gas | 533.37 | J/mol×K | 723.11 | Joback Calculated Property |
| Cp,gas | 545.62 | J/mol×K | 753.82 | Joback Calculated Property |
| Cp,gas | 557.21 | J/mol×K | 784.54 | Joback Calculated Property |
| Cp,gas | 568.15 | J/mol×K | 815.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetylamino-octanoic acid methyl ester.
Sources
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