- InChI
- InChI=1S/C13H21NO3/c1-5-10(3)12(15)14-8-7-9-17-13(16)11(4)6-2/h5-6H,7-9H2,1-4H3,(H,14,15)/b10-5+,11-6+
- InChI Key
- SVVFURUTCNYAPB-YOYBCKCWSA-N
- Formula
- C13H21NO3
- SMILES
- CC=C(C)C(=O)NCCCOC(=O)C(C)=CC
- Molecular Weight1
- 239.31
- 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 | 0.6864 | Relay (1.0) Calculated Property | |
| ΔfG° | -71.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.968 | Crippen Calculated Property | |
| McVol | 204.420 | ml/mol | McGowan Calculated Property |
| Pc | 2010.90 | kPa | Joback Calculated Property |
| Inp | [1956.00; 1956.00] |
|
|
| Inp | 1956.00 | NIST | |
| Inp | 1956.00 | NIST | |
| Tboil | 558.93 | K | Relay (1.0) Calculated Property |
| Tc | 772.57 | K | Relay (1.0) Calculated Property |
| Tfus | 329.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.95; 627.16] | J/mol×K | [685.25; 881.19] |
|
| Cp,gas | 551.95 | J/mol×K | 685.25 | Joback Calculated Property |
| Cp,gas | 566.33 | J/mol×K | 717.91 | Joback Calculated Property |
| Cp,gas | 579.92 | J/mol×K | 750.56 | Joback Calculated Property |
| Cp,gas | 592.76 | J/mol×K | 783.22 | Joback Calculated Property |
| Cp,gas | 604.89 | J/mol×K | 815.88 | Joback Calculated Property |
| Cp,gas | 616.34 | J/mol×K | 848.53 | Joback Calculated Property |
| Cp,gas | 627.16 | J/mol×K | 881.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-((E)-2-Methylbut-2-enamido)propyl (E)-2-methylbut-2-enoate.
Sources
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