- InChI
- InChI=1S/C17H24O6/c1-11(2)9-20-16(18)22-14-6-13(5)7-15(8-14)23-17(19)21-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3
- InChI Key
- NWKYDAUHKFHWOK-UHFFFAOYSA-N
- Formula
- C17H24O6
- SMILES
-
Cc1cc(OC(=O)OCC(C)C)cc(OC(=O)O
CC(C)C)c1 - Molecular Weight1
- 324.37
- 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 | 0.9365 | Relay (... Calculated Property | |
| ΔfG° | -497.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1148.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -5.31 | Relay (... Calculated Property | |
| logPoct/wat | 4.338 | Crippen Calculated Property | |
| McVol | 253.250 | ml/mol | McGowan Calculated Property |
| Pc | 1632.49 | kPa | Joback Calculated Property |
| Inp | 2166.00 | NIST | |
| Tboil | 626.53 | K | Relay (... Calculated Property |
| Tc | 782.90 | K | Relay (... Calculated Property |
| Tfus | 298.49 | K | Relay (... Calculated Property |
| Vc | 0.960 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.18; 831.66] | J/mol×K | [821.54; 1027.28] | 
|
| Cp,gas | 761.18 | J/mol×K | 821.54 | Joback Calculated Property |
| Cp,gas | 775.96 | J/mol×K | 855.83 | Joback Calculated Property |
| Cp,gas | 789.55 | J/mol×K | 890.12 | Joback Calculated Property |
| Cp,gas | 801.94 | J/mol×K | 924.41 | Joback Calculated Property |
| Cp,gas | 813.09 | J/mol×K | 958.70 | Joback Calculated Property |
| Cp,gas | 823.01 | J/mol×K | 992.99 | Joback Calculated Property |
| Cp,gas | 831.66 | J/mol×K | 1027.28 | Joback Calculated Property |
| η | [0.0000401; 0.0004277] | Pa×s | [491.59; 821.54] |
|
| η | 0.0004277 | Pa×s | 491.59 | Joback Calculated Property |
| η | 0.0002363 | Pa×s | 546.58 | Joback Calculated Property |
| η | 0.0001455 | Pa×s | 601.57 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 656.57 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 711.56 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 766.55 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 821.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Orcinol, isoBOC.
Sources
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