- InChI
- InChI=1S/C13H18O/c1-10(13(2,3)4)11-6-8-12(14-5)9-7-11/h6-9H,1H2,2-5H3
- InChI Key
- CXJOZMQAIWJYLG-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- C=C(c1ccc(OC)cc1)C(C)(C)C
- Molecular Weight1
- 190.28
- CAS
- 22666-53-1
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| PAff | 897.90 | kJ/mol | NIST |
| BasG | 869.10 | kJ/mol | NIST |
| ΔfG° | 138.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.755 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Tboil | 544.25 | K | Joback Calculated Property |
| Tc | 760.60 | K | Joback Calculated Property |
| Tfus | 284.14 | K | Joback Calculated Property |
| Vc | 0.644 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.67; 494.17] | J/mol×K | [544.25; 760.60] | 
|
| Cp,gas | 403.67 | J/mol×K | 544.25 | Joback Calculated Property |
| Cp,gas | 421.31 | J/mol×K | 580.31 | Joback Calculated Property |
| Cp,gas | 437.86 | J/mol×K | 616.37 | Joback Calculated Property |
| Cp,gas | 453.37 | J/mol×K | 652.42 | Joback Calculated Property |
| Cp,gas | 467.89 | J/mol×K | 688.48 | Joback Calculated Property |
| Cp,gas | 481.47 | J/mol×K | 724.54 | Joback Calculated Property |
| Cp,gas | 494.17 | J/mol×K | 760.60 | Joback Calculated Property |
Similar Compounds
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Sources
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