- InChI
- InChI=1S/C11H12O5/c1-8(12)15-7-11(13)16-10-5-3-9(14-2)4-6-10/h3-6H,7H2,1-2H3
- InChI Key
- RJDNAIXYTFIJPO-UHFFFAOYSA-N
- Formula
- C11H12O5
- SMILES
- COc1ccc(OC(=O)COC(C)=O)cc1
- Molecular Weight1
- 224.21
- 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° | -428.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.74 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.164 | Crippen Calculated Property | |
| McVol | 162.840 | ml/mol | McGowan Calculated Property |
| Pc | 2820.33 | kPa | Joback Calculated Property |
| Inp | [1630.00; 1630.00] |
|
|
| Inp | 1630.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Tboil | 657.74 | K | Joback Calculated Property |
| Tc | 870.60 | K | Joback Calculated Property |
| Tfus | 419.22 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.26; 474.67] | J/mol×K | [657.74; 870.60] |
|
| Cp,gas | 411.26 | J/mol×K | 657.74 | Joback Calculated Property |
| Cp,gas | 423.76 | J/mol×K | 693.22 | Joback Calculated Property |
| Cp,gas | 435.51 | J/mol×K | 728.69 | Joback Calculated Property |
| Cp,gas | 446.49 | J/mol×K | 764.17 | Joback Calculated Property |
| Cp,gas | 456.69 | J/mol×K | 799.65 | Joback Calculated Property |
| Cp,gas | 466.09 | J/mol×K | 835.12 | Joback Calculated Property |
| Cp,gas | 474.67 | J/mol×K | 870.60 | Joback Calculated Property |
| η | [0.0001306; 0.0008661] | Pa×s | [419.22; 657.74] |
|
| η | 0.0008661 | Pa×s | 419.22 | Joback Calculated Property |
| η | 0.0005512 | Pa×s | 458.97 | Joback Calculated Property |
| η | 0.0003770 | Pa×s | 498.73 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 538.48 | Joback Calculated Property |
| η | 0.0002063 | Pa×s | 578.23 | Joback Calculated Property |
| η | 0.0001617 | Pa×s | 617.99 | Joback Calculated Property |
| η | 0.0001306 | Pa×s | 657.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetic acid, 4-methoxyphenyl ester.
Sources
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