- InChI
- InChI=1S/C18H22O3/c1-20-16-5-3-2-4-15(16)18(19)21-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3
- InChI Key
- KWHKSGIIGZCYIR-UHFFFAOYSA-N
- Formula
- C18H22O3
- SMILES
-
COc1ccccc1C(=O)OC1C2CC3CC(C2)C
C1C3 - Molecular Weight1
- 286.37
- 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 | 0.6511 | Relay (1.0) Calculated Property | |
| ΔfG° | 19.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.677 | Crippen Calculated Property | |
| McVol | 221.450 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | 2313.00 | NIST | |
| Tboil | 651.21 | K | Relay (1.0) Calculated Property |
| Tc | 926.79 | K | Relay (1.0) Calculated Property |
| Tfus | 437.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.35; 802.43] | J/mol×K | [756.76; 987.36] | 
|
| Cp,gas | 703.35 | J/mol×K | 756.76 | Joback Calculated Property |
| Cp,gas | 723.04 | J/mol×K | 795.19 | Joback Calculated Property |
| Cp,gas | 741.32 | J/mol×K | 833.63 | Joback Calculated Property |
| Cp,gas | 758.30 | J/mol×K | 872.06 | Joback Calculated Property |
| Cp,gas | 774.07 | J/mol×K | 910.49 | Joback Calculated Property |
| Cp,gas | 788.75 | J/mol×K | 948.92 | Joback Calculated Property |
| Cp,gas | 802.43 | J/mol×K | 987.36 | Joback Calculated Property |
| η | [0.0019343; 0.0032839] | Pa×s | [467.77; 756.76] |
|
| η | 0.0032839 | Pa×s | 467.77 | Joback Calculated Property |
| η | 0.0028853 | Pa×s | 515.93 | Joback Calculated Property |
| η | 0.0025918 | Pa×s | 564.10 | Joback Calculated Property |
| η | 0.0023677 | Pa×s | 612.27 | Joback Calculated Property |
| η | 0.0021918 | Pa×s | 660.43 | Joback Calculated Property |
| η | 0.0020503 | Pa×s | 708.60 | Joback Calculated Property |
| η | 0.0019343 | Pa×s | 756.76 | Joback Calculated Property |
Similar Compounds
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Sources
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