- InChI
- InChI=1S/C12H23NO3/c1-3-5-6-7-11(14)13-9-8-12(15)16-10-4-2/h3-10H2,1-2H3,(H,13,14)
- InChI Key
- OGPRBKDKHWXZFR-UHFFFAOYSA-N
- Formula
- C12H23NO3
- SMILES
- CCCCCC(=O)NCCC(=O)OCCC
- Molecular Weight1
- 229.32
- 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° | -223.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.026 | Crippen Calculated Property | |
| McVol | 198.930 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | 1768.00 | NIST | |
| Tboil | 654.29 | K | Joback Calculated Property |
| Tc | 834.43 | K | Joback Calculated Property |
| Tfus | 399.75 | K | Joback Calculated Property |
| Vc | 0.772 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.10; 621.31] | J/mol×K | [654.29; 834.43] | 
|
| Cp,gas | 544.10 | J/mol×K | 654.29 | Joback Calculated Property |
| Cp,gas | 558.67 | J/mol×K | 684.31 | Joback Calculated Property |
| Cp,gas | 572.55 | J/mol×K | 714.34 | Joback Calculated Property |
| Cp,gas | 585.74 | J/mol×K | 744.36 | Joback Calculated Property |
| Cp,gas | 598.26 | J/mol×K | 774.38 | Joback Calculated Property |
| Cp,gas | 610.11 | J/mol×K | 804.41 | Joback Calculated Property |
| Cp,gas | 621.31 | J/mol×K | 834.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, propyl ester.
Sources
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