- InChI
- InChI=1S/C17H20O5/c1-11(17(20)22-10-15(19)9-18)12-3-4-14-8-16(21-2)6-5-13(14)7-12/h3-8,11,15,18-19H,9-10H2,1-2H3
- InChI Key
- NQGWSPZQESAHBV-UHFFFAOYSA-N
- Formula
- C17H20O5
- SMILES
-
COc1ccc2cc(C(C)C(=O)OCC(O)CO)c
cc2c1 - Molecular Weight1
- 304.34
- 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).
- 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 | 1.0241 | Relay (... Calculated Property | |
| ΔfG° | -325.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.02 | eV | Relay (... Calculated Property |
| log10WS | -2.62 | Aq. Sol... | |
| logPoct/wat | 1.848 | Crippen Calculated Property | |
| McVol | 232.220 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Tboil | 709.09 | K | Relay (... Calculated Property |
| Tc | 961.59 | K | Relay (... Calculated Property |
| Tfus | 379.00 | K | Relay (... Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.17; 776.22] | J/mol×K | [926.17; 1138.50] | 
|
| Cp,gas | 724.17 | J/mol×K | 926.17 | Joback Calculated Property |
| Cp,gas | 734.81 | J/mol×K | 961.56 | Joback Calculated Property |
| Cp,gas | 744.61 | J/mol×K | 996.95 | Joback Calculated Property |
| Cp,gas | 753.62 | J/mol×K | 1032.34 | Joback Calculated Property |
| Cp,gas | 761.86 | J/mol×K | 1067.72 | Joback Calculated Property |
| Cp,gas | 769.38 | J/mol×K | 1103.11 | Joback Calculated Property |
| Cp,gas | 776.22 | J/mol×K | 1138.50 | Joback Calculated Property |
| η | [0.0000029; 0.0001693] | Pa×s | [551.54; 926.17] |
|
| η | 0.0001693 | Pa×s | 551.54 | Joback Calculated Property |
| η | 0.0000609 | Pa×s | 613.98 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 676.42 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 738.86 | Joback Calculated Property |
| η | 0.0000074 | Pa×s | 801.29 | Joback Calculated Property |
| η | 0.0000045 | Pa×s | 863.73 | Joback Calculated Property |
| η | 0.0000029 | Pa×s | 926.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-dihydroxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate.
Sources
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