- InChI
- InChI=1S/C12H14O4/c1-8(2)15-12(14)10-4-6-11(7-5-10)16-9(3)13/h4-8H,1-3H3
- InChI Key
- PUUGJQYFLLDSOH-UHFFFAOYSA-N
- Formula
- C12H14O4
- SMILES
- CC(=O)Oc1ccc(C(=O)OC(C)C)cc1
- Molecular Weight1
- 222.24
- 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° | -317.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.177 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | 1631.00 | NIST | |
| Tboil | 657.76 | K | Joback Calculated Property |
| Tc | 873.64 | K | Joback Calculated Property |
| Tfus | 393.26 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.03; 506.12] | J/mol×K | [657.76; 873.64] | 
|
| Cp,gas | 437.03 | J/mol×K | 657.76 | Joback Calculated Property |
| Cp,gas | 450.66 | J/mol×K | 693.74 | Joback Calculated Property |
| Cp,gas | 463.45 | J/mol×K | 729.72 | Joback Calculated Property |
| Cp,gas | 475.39 | J/mol×K | 765.70 | Joback Calculated Property |
| Cp,gas | 486.48 | J/mol×K | 801.68 | Joback Calculated Property |
| Cp,gas | 496.72 | J/mol×K | 837.66 | Joback Calculated Property |
| Cp,gas | 506.12 | J/mol×K | 873.64 | Joback Calculated Property |
| η | [0.0001386; 0.0013098] | Pa×s | [393.26; 657.76] |
|
| η | 0.0013098 | Pa×s | 393.26 | Joback Calculated Property |
| η | 0.0007459 | Pa×s | 437.34 | Joback Calculated Property |
| η | 0.0004709 | Pa×s | 481.43 | Joback Calculated Property |
| η | 0.0003211 | Pa×s | 525.51 | Joback Calculated Property |
| η | 0.0002323 | Pa×s | 569.59 | Joback Calculated Property |
| η | 0.0001761 | Pa×s | 613.68 | Joback Calculated Property |
| η | 0.0001386 | Pa×s | 657.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl 4-acetoxybenzoate.
Sources
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