- InChI
- InChI=1S/C18H16O4/c1-11(19)22-18-16(21-3)9-7-13-5-4-12-6-8-14(20-2)10-15(12)17(13)18/h4-10H,1-3H3
- InChI Key
- RIUJHBDYSWDQNC-UHFFFAOYSA-N
- Formula
- C18H16O4
- SMILES
-
COc1ccc2ccc3ccc(OC)c(OC(C)=O)c
3c2c1 - Molecular Weight1
- 296.32
- 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° | -56.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 3.935 | Crippen Calculated Property | |
| McVol | 220.980 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | 2591.00 | NIST | |
| Tboil | 816.93 | K | Joback Calculated Property |
| Tc | 1048.62 | K | Joback Calculated Property |
| Tfus | 551.14 | K | Joback Calculated Property |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.11; 691.46] | J/mol×K | [816.93; 1048.62] | 
|
| Cp,gas | 625.11 | J/mol×K | 816.93 | Joback Calculated Property |
| Cp,gas | 638.55 | J/mol×K | 855.54 | Joback Calculated Property |
| Cp,gas | 650.99 | J/mol×K | 894.16 | Joback Calculated Property |
| Cp,gas | 662.45 | J/mol×K | 932.77 | Joback Calculated Property |
| Cp,gas | 672.99 | J/mol×K | 971.39 | Joback Calculated Property |
| Cp,gas | 682.65 | J/mol×K | 1010.00 | Joback Calculated Property |
| Cp,gas | 691.46 | J/mol×K | 1048.62 | Joback Calculated Property |
| η | [0.0002161; 0.0006445] | Pa×s | [551.14; 816.93] |
|
| η | 0.0006445 | Pa×s | 551.14 | Joback Calculated Property |
| η | 0.0005020 | Pa×s | 595.44 | Joback Calculated Property |
| η | 0.0004048 | Pa×s | 639.74 | Joback Calculated Property |
| η | 0.0003356 | Pa×s | 684.04 | Joback Calculated Property |
| η | 0.0002847 | Pa×s | 728.33 | Joback Calculated Property |
| η | 0.0002461 | Pa×s | 772.63 | Joback Calculated Property |
| η | 0.0002161 | Pa×s | 816.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-O-Acetylthebaol.
Sources
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