- InChI
- InChI=1S/C11H10O5/c1-7(12)15-10-5-3-4-9(6-10)11(14)16-8(2)13/h3-6H,1-2H3
- InChI Key
- NBJUJOIKIGAIRE-UHFFFAOYSA-N
- Formula
- C11H10O5
- SMILES
- CC(=O)OC(=O)c1cccc(OC(C)=O)c1
- Molecular Weight1
- 222.19
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -452.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.22 | Crippen Calculated Property | |
| logPoct/wat | 1.315 | Crippen Calculated Property | |
| McVol | 158.540 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | [1652.00; 1652.00] |
|
|
| Inp | 1652.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Tboil | 689.19 | K | Joback Calculated Property |
| Tc | 910.86 | K | Joback Calculated Property |
| Tfus | 446.92 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.64; 455.33] | J/mol×K | [689.19; 910.86] |
|
| Cp,gas | 399.64 | J/mol×K | 689.19 | Joback Calculated Property |
| Cp,gas | 410.96 | J/mol×K | 726.14 | Joback Calculated Property |
| Cp,gas | 421.47 | J/mol×K | 763.08 | Joback Calculated Property |
| Cp,gas | 431.17 | J/mol×K | 800.03 | Joback Calculated Property |
| Cp,gas | 440.05 | J/mol×K | 836.97 | Joback Calculated Property |
| Cp,gas | 448.10 | J/mol×K | 873.92 | Joback Calculated Property |
| Cp,gas | 455.33 | J/mol×K | 910.86 | Joback Calculated Property |
| η | [0.0001684; 0.0010372] | Pa×s | [446.92; 689.19] |
|
| η | 0.0010372 | Pa×s | 446.92 | Joback Calculated Property |
| η | 0.0006757 | Pa×s | 487.30 | Joback Calculated Property |
| η | 0.0004701 | Pa×s | 527.68 | Joback Calculated Property |
| η | 0.0003443 | Pa×s | 568.06 | Joback Calculated Property |
| η | 0.0002628 | Pa×s | 608.43 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 648.81 | Joback Calculated Property |
| η | 0.0001684 | Pa×s | 689.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Acetyloxy)benzoic acetic anhydride.
Sources
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