- InChI
- InChI=1S/C15H29NO4/c1-4-6-8-9-10-12-19-14(17)13(3)16-15(18)20-11-7-5-2/h13H,4-12H2,1-3H3,(H,16,18)
- InChI Key
- DRMACYKCPRGACG-UHFFFAOYSA-N
- Formula
- C15H29NO4
- SMILES
- CCCCCCCOC(=O)C(C)NC(=O)OCCCC
- Molecular Weight1
- 287.40
- 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° | -305.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.415 | Crippen Calculated Property | |
| McVol | 247.070 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Inp | [1954.00; 1954.00] |
|
|
| Inp | 1954.00 | NIST | |
| Inp | 1954.00 | NIST | |
| Tboil | 744.91 | K | Joback Calculated Property |
| Tc | 926.88 | K | Joback Calculated Property |
| Tfus | 440.79 | K | Joback Calculated Property |
| Vc | 0.953 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.86; 820.77] | J/mol×K | [744.91; 926.88] |
|
| Cp,gas | 737.86 | J/mol×K | 744.91 | Joback Calculated Property |
| Cp,gas | 753.81 | J/mol×K | 775.24 | Joback Calculated Property |
| Cp,gas | 768.89 | J/mol×K | 805.57 | Joback Calculated Property |
| Cp,gas | 783.13 | J/mol×K | 835.90 | Joback Calculated Property |
| Cp,gas | 796.51 | J/mol×K | 866.22 | Joback Calculated Property |
| Cp,gas | 809.06 | J/mol×K | 896.55 | Joback Calculated Property |
| Cp,gas | 820.77 | J/mol×K | 926.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-butoxycarbonyl-, heptyl ester.
Sources
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