- InChI
- InChI=1S/C11H12O3/c1-3-4-9-5-6-11(10(13)7-9)14-8(2)12/h3,5-7,13H,1,4H2,2H3
- InChI Key
- PNSJXUWAPPRSKA-UHFFFAOYSA-N
- Formula
- C11H12O3
- SMILES
- C=CCc1ccc(OC(C)=O)c(O)c1
- Molecular Weight1
- 192.21
- 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° | -156.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.046 | Crippen Calculated Property | |
| McVol | 151.100 | ml/mol | McGowan Calculated Property |
| Pc | 3376.28 | kPa | Joback Calculated Property |
| Inp | 1530.00 | NIST | |
| Tboil | 636.33 | K | Joback Calculated Property |
| Tc | 861.11 | K | Joback Calculated Property |
| Tfus | 434.79 | K | Joback Calculated Property |
| Vc | 0.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.79; 437.33] | J/mol×K | [636.33; 861.11] | 
|
| Cp,gas | 375.79 | J/mol×K | 636.33 | Joback Calculated Property |
| Cp,gas | 387.72 | J/mol×K | 673.79 | Joback Calculated Property |
| Cp,gas | 398.90 | J/mol×K | 711.26 | Joback Calculated Property |
| Cp,gas | 409.38 | J/mol×K | 748.72 | Joback Calculated Property |
| Cp,gas | 419.24 | J/mol×K | 786.18 | Joback Calculated Property |
| Cp,gas | 428.53 | J/mol×K | 823.65 | Joback Calculated Property |
| Cp,gas | 437.33 | J/mol×K | 861.11 | Joback Calculated Property |
| η | [0.0000262; 0.0005363] | Pa×s | [434.79; 636.33] |
|
| η | 0.0005363 | Pa×s | 434.79 | Joback Calculated Property |
| η | 0.0002707 | Pa×s | 468.38 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 501.97 | Joback Calculated Property |
| η | 0.0000892 | Pa×s | 535.56 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 569.15 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 602.74 | Joback Calculated Property |
| η | 0.0000262 | Pa×s | 636.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allylpyrocatechol monoacetate.
Sources
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