- InChI
- InChI=1S/C11H9NO3/c1-2-7-14-11(13)15-10-5-3-9(8-12)4-6-10/h2-6H,1,7H2
- InChI Key
- GFTAYONHPAZARG-UHFFFAOYSA-N
- Formula
- C11H9NO3
- SMILES
- C=CCOC(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 203.19
- 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° | 26.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.89 | Crippen Calculated Property | |
| logPoct/wat | 2.260 | Crippen Calculated Property | |
| McVol | 152.480 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Inp | [1629.00; 1629.00] |
|
|
| Inp | 1629.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Tboil | 680.21 | K | Joback Calculated Property |
| Tc | 905.91 | K | Joback Calculated Property |
| Tfus | 410.29 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.79; 424.86] | J/mol×K | [680.21; 905.91] |
|
| Cp,gas | 371.79 | J/mol×K | 680.21 | Joback Calculated Property |
| Cp,gas | 382.48 | J/mol×K | 717.83 | Joback Calculated Property |
| Cp,gas | 392.42 | J/mol×K | 755.44 | Joback Calculated Property |
| Cp,gas | 401.63 | J/mol×K | 793.06 | Joback Calculated Property |
| Cp,gas | 410.10 | J/mol×K | 830.68 | Joback Calculated Property |
| Cp,gas | 417.84 | J/mol×K | 868.29 | Joback Calculated Property |
| Cp,gas | 424.86 | J/mol×K | 905.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, allyl 4-cyanophenyl ester.
Sources
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