- InChI
- InChI=1S/C10H19NO3/c1-4-5-6-7-9(12)11-8(2)10(13)14-3/h8H,4-7H2,1-3H3,(H,11,12)
- InChI Key
- ZHXNJDXOOUINCL-UHFFFAOYSA-N
- Formula
- C10H19NO3
- SMILES
- CCCCCC(=O)NC(C)C(=O)OC
- Molecular Weight1
- 201.26
- 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° | -242.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.80 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 170.750 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | [1451.00; 1451.00] |
|
|
| Inp | 1451.00 | NIST | |
| Inp | 1451.00 | NIST | |
| Tboil | 608.09 | K | Joback Calculated Property |
| Tc | 794.08 | K | Joback Calculated Property |
| Tfus | 362.21 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.06; 514.49] | J/mol×K | [608.09; 794.08] |
|
| Cp,gas | 442.06 | J/mol×K | 608.09 | Joback Calculated Property |
| Cp,gas | 455.73 | J/mol×K | 639.09 | Joback Calculated Property |
| Cp,gas | 468.75 | J/mol×K | 670.09 | Joback Calculated Property |
| Cp,gas | 481.12 | J/mol×K | 701.09 | Joback Calculated Property |
| Cp,gas | 492.87 | J/mol×K | 732.09 | Joback Calculated Property |
| Cp,gas | 503.99 | J/mol×K | 763.08 | Joback Calculated Property |
| Cp,gas | 514.49 | J/mol×K | 794.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Alanine, N-caproyl-, methyl ester.
Sources
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