- InChI
- InChI=1S/C13H18O2/c1-9(2)8-13(14)15-12-7-5-6-10(3)11(12)4/h5-7,9H,8H2,1-4H3
- InChI Key
- ULGFUZCCSGXVDJ-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- Cc1cccc(OC(=O)CC(C)C)c1C
- Molecular Weight1
- 206.28
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5976 | Relay (... Calculated Property | |
| ΔfG° | -84.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.77 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -3.65 | Relay (... Calculated Property | |
| logPoct/wat | 3.255 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | 1527.00 | NIST | |
| Tboil | 510.06 | K | Relay (... Calculated Property |
| Tc | 749.83 | K | Relay (... Calculated Property |
| Tfus | 288.70 | K | Relay (... Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.11; 524.99] | J/mol×K | [609.33; 818.21] | 
|
| Cp,gas | 443.11 | J/mol×K | 609.33 | Joback Calculated Property |
| Cp,gas | 458.82 | J/mol×K | 644.14 | Joback Calculated Property |
| Cp,gas | 473.68 | J/mol×K | 678.96 | Joback Calculated Property |
| Cp,gas | 487.72 | J/mol×K | 713.77 | Joback Calculated Property |
| Cp,gas | 500.94 | J/mol×K | 748.58 | Joback Calculated Property |
| Cp,gas | 513.36 | J/mol×K | 783.39 | Joback Calculated Property |
| Cp,gas | 524.99 | J/mol×K | 818.21 | Joback Calculated Property |
| η | [0.0001514; 0.0015959] | Pa×s | [344.89; 609.33] |
|
| η | 0.0015959 | Pa×s | 344.89 | Joback Calculated Property |
| η | 0.0008629 | Pa×s | 388.96 | Joback Calculated Property |
| η | 0.0005288 | Pa×s | 433.04 | Joback Calculated Property |
| η | 0.0003547 | Pa×s | 477.11 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 521.18 | Joback Calculated Property |
| η | 0.0001924 | Pa×s | 565.26 | Joback Calculated Property |
| η | 0.0001514 | Pa×s | 609.33 | Joback Calculated Property |
Similar Compounds
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Sources
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