- InChI
- InChI=1S/C9H14O2/c1-4-6-7-11-9(10)8(3)5-2/h4-6H,7H2,1-3H3/b6-4+,8-5-
- InChI Key
- KQNAEIIOBYBBAI-NDWVUGOJSA-N
- Formula
- C9H14O2
- SMILES
- CC=CCOC(=O)C(C)=CC
- Molecular Weight1
- 154.21
- 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° | -57.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.072 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | 1086.00 | NIST | |
| Tboil | 489.81 | K | Joback Calculated Property |
| Tc | 683.25 | K | Joback Calculated Property |
| Tfus | 239.23 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.78; 356.10] | J/mol×K | [489.81; 683.25] | 
|
| Cp,gas | 288.78 | J/mol×K | 489.81 | Joback Calculated Property |
| Cp,gas | 301.50 | J/mol×K | 522.05 | Joback Calculated Property |
| Cp,gas | 313.58 | J/mol×K | 554.29 | Joback Calculated Property |
| Cp,gas | 325.06 | J/mol×K | 586.53 | Joback Calculated Property |
| Cp,gas | 335.95 | J/mol×K | 618.77 | Joback Calculated Property |
| Cp,gas | 346.29 | J/mol×K | 651.01 | Joback Calculated Property |
| Cp,gas | 356.10 | J/mol×K | 683.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenyl Angelate.
Sources
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