- InChI
- InChI=1S/C9H17NO3/c1-3-4-5-6-8(11)10-7-9(12)13-2/h3-7H2,1-2H3,(H,10,11)
- InChI Key
- ALDGTFMBPHWBRK-UHFFFAOYSA-N
- Formula
- C9H17NO3
- SMILES
- CCCCCC(=O)NCC(=O)OC
- Molecular Weight1
- 187.24
- 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° | -248.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.42 | Crippen Calculated Property | |
| logPoct/wat | 0.856 | Crippen Calculated Property | |
| McVol | 156.660 | ml/mol | McGowan Calculated Property |
| Pc | 2603.08 | kPa | Joback Calculated Property |
| Inp | 1457.00 | NIST | |
| Tboil | 585.65 | K | Joback Calculated Property |
| Tc | 770.19 | K | Joback Calculated Property |
| Tfus | 365.94 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.71; 460.27] | J/mol×K | [585.65; 770.19] | 
|
| Cp,gas | 392.71 | J/mol×K | 585.65 | Joback Calculated Property |
| Cp,gas | 405.39 | J/mol×K | 616.41 | Joback Calculated Property |
| Cp,gas | 417.49 | J/mol×K | 647.16 | Joback Calculated Property |
| Cp,gas | 429.03 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 440.00 | J/mol×K | 708.67 | Joback Calculated Property |
| Cp,gas | 450.41 | J/mol×K | 739.43 | Joback Calculated Property |
| Cp,gas | 460.27 | J/mol×K | 770.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Hexanoylglycine, methyl ester.
Sources
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