- InChI
- InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2
- InChI Key
- JLUQTCXCAFSSLD-UHFFFAOYSA-N
- Formula
- C10H8O4
- SMILES
- O=C1C=CC2(CCC23C=CC(=O)O3)O1
- Molecular Weight1
- 192.17
- CAS
- 90921-11-2
- 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° | -181.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.21 | kJ/mol | Joback Calculated Property |
| log10WS | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 0.484 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Inp | [895.00; 895.00] |
|
|
| Inp | 895.00 | NIST | |
| Inp | 895.00 | NIST | |
| Tboil | 654.24 | K | Joback Calculated Property |
| Tc | 937.51 | K | Joback Calculated Property |
| Tfus | 488.86 | K | Joback Calculated Property |
| Vc | 0.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.72; 438.81] | J/mol×K | [654.24; 937.51] |
|
| Cp,gas | 351.72 | J/mol×K | 654.24 | Joback Calculated Property |
| Cp,gas | 366.28 | J/mol×K | 701.45 | Joback Calculated Property |
| Cp,gas | 380.23 | J/mol×K | 748.66 | Joback Calculated Property |
| Cp,gas | 394.01 | J/mol×K | 795.87 | Joback Calculated Property |
| Cp,gas | 408.07 | J/mol×K | 843.09 | Joback Calculated Property |
| Cp,gas | 422.85 | J/mol×K | 890.30 | Joback Calculated Property |
| Cp,gas | 438.81 | J/mol×K | 937.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to protoanemonin.
Sources
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