- InChI
- InChI=1S/C9H17NO3/c1-4-13-8(11)5-6-10-9(12)7(2)3/h7H,4-6H2,1-3H3,(H,10,12)
- InChI Key
- PFTYOYXLRLHBCZ-UHFFFAOYSA-N
- Formula
- C9H17NO3
- SMILES
- CCOC(=O)CCNC(=O)C(C)C
- Molecular Weight1
- 187.24
- 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 | 0.6142 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.712 | Crippen Calculated Property | |
| McVol | 156.660 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | 1406.00 | NIST | |
| Tboil | 511.71 | K | Relay (1.0) Calculated Property |
| Tc | 695.13 | K | Relay (1.0) Calculated Property |
| Tfus | 299.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.11; 461.96] | J/mol×K | [585.21; 773.19] | 
|
| Cp,gas | 393.11 | J/mol×K | 585.21 | Joback Calculated Property |
| Cp,gas | 406.08 | J/mol×K | 616.54 | Joback Calculated Property |
| Cp,gas | 418.44 | J/mol×K | 647.87 | Joback Calculated Property |
| Cp,gas | 430.20 | J/mol×K | 679.20 | Joback Calculated Property |
| Cp,gas | 441.37 | J/mol×K | 710.53 | Joback Calculated Property |
| Cp,gas | 451.95 | J/mol×K | 741.86 | Joback Calculated Property |
| Cp,gas | 461.96 | J/mol×K | 773.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, ethyl ester.
Sources
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