- InChI
- InChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3
- InChI Key
- ZVCQQLGWGRTXGC-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC(C)(C)c1ccc(O)c(C=O)c1
- Molecular Weight1
- 178.23
- CAS
- 2725-53-3
- 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° | -106.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.502 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | 1602.00 | NIST | |
| Tboil | 608.79 | K | Joback Calculated Property |
| Tc | 840.49 | K | Joback Calculated Property |
| Tfus | 408.81 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.90; 444.55] | J/mol×K | [608.79; 840.49] | 
|
| Cp,gas | 377.90 | J/mol×K | 608.79 | Joback Calculated Property |
| Cp,gas | 391.12 | J/mol×K | 647.41 | Joback Calculated Property |
| Cp,gas | 403.34 | J/mol×K | 686.02 | Joback Calculated Property |
| Cp,gas | 414.68 | J/mol×K | 724.64 | Joback Calculated Property |
| Cp,gas | 425.26 | J/mol×K | 763.26 | Joback Calculated Property |
| Cp,gas | 435.17 | J/mol×K | 801.87 | Joback Calculated Property |
| Cp,gas | 444.55 | J/mol×K | 840.49 | Joback Calculated Property |
| η | [0.0000355; 0.0011022] | Pa×s | [408.81; 608.79] |
|
| η | 0.0011022 | Pa×s | 408.81 | Joback Calculated Property |
| η | 0.0005012 | Pa×s | 442.14 | Joback Calculated Property |
| η | 0.0002545 | Pa×s | 475.47 | Joback Calculated Property |
| η | 0.0001412 | Pa×s | 508.80 | Joback Calculated Property |
| η | 0.0000843 | Pa×s | 542.13 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 575.46 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 608.79 | Joback Calculated Property |
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Sources
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