- InChI
- InChI=1S/C12H21NO3/c1-4-11(14)13-8-7-12(15)16-9-5-6-10(2)3/h4,10H,1,5-9H2,2-3H3,(H,13,14)
- InChI Key
- LGODNLCNMQBMAP-UHFFFAOYSA-N
- Formula
- C12H21NO3
- SMILES
- C=CC(=O)NCCC(=O)OCCCC(C)C
- Molecular Weight1
- 227.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7320 | Relay (... Calculated Property | |
| ΔfG° | -137.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.43 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -2.35 | Relay (... Calculated Property | |
| logPoct/wat | 1.658 | Crippen Calculated Property | |
| McVol | 194.630 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | 1739.00 | NIST | |
| Tboil | 559.06 | K | Relay (... Calculated Property |
| Tc | 744.06 | K | Relay (... Calculated Property |
| Tfus | 286.19 | K | Relay (... Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.98; 597.09] | J/mol×K | [650.53; 836.12] | 
|
| Cp,gas | 521.98 | J/mol×K | 650.53 | Joback Calculated Property |
| Cp,gas | 536.26 | J/mol×K | 681.46 | Joback Calculated Property |
| Cp,gas | 549.82 | J/mol×K | 712.39 | Joback Calculated Property |
| Cp,gas | 562.66 | J/mol×K | 743.32 | Joback Calculated Property |
| Cp,gas | 574.81 | J/mol×K | 774.25 | Joback Calculated Property |
| Cp,gas | 586.28 | J/mol×K | 805.19 | Joback Calculated Property |
| Cp,gas | 597.09 | J/mol×K | 836.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-acryloyl-, isohexyl ester.
Sources
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