- InChI
- InChI=1S/C12H21NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)
- InChI Key
- YPTRFXLVRQUQMC-UHFFFAOYSA-N
- Formula
- C12H21NO3
- SMILES
- CCOC(=O)CCNC(=O)C1CCCCC1
- Molecular Weight1
- 227.30
- 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° | -198.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 1.636 | Crippen Calculated Property | |
| McVol | 188.070 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Inp | 1826.00 | NIST | |
| Tboil | 673.84 | K | Joback Calculated Property |
| Tc | 880.62 | K | Joback Calculated Property |
| Tfus | 407.13 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.48; 622.93] | J/mol×K | [673.84; 880.62] | 
|
| Cp,gas | 536.48 | J/mol×K | 673.84 | Joback Calculated Property |
| Cp,gas | 553.46 | J/mol×K | 708.30 | Joback Calculated Property |
| Cp,gas | 569.38 | J/mol×K | 742.77 | Joback Calculated Property |
| Cp,gas | 584.27 | J/mol×K | 777.23 | Joback Calculated Property |
| Cp,gas | 598.14 | J/mol×K | 811.69 | Joback Calculated Property |
| Cp,gas | 611.03 | J/mol×K | 846.16 | Joback Calculated Property |
| Cp,gas | 622.93 | J/mol×K | 880.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-cyclohexylcarbonyl-, ethyl ester.
Sources
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