- InChI
- InChI=1S/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15)
- InChI Key
- YCENSLDYFDZUMO-UHFFFAOYSA-N
- Formula
- C13H18O5
- SMILES
- CCOc1cc(C(=O)O)cc(OCC)c1OCC
- Molecular Weight1
- 254.28
- CAS
- 6970-19-0
- Other Names
-
- Benzoic acid, 3,4,5-triethoxy-
- 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).
- 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° | -438.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.581 | Crippen Calculated Property | |
| McVol | 195.320 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Tboil | 751.77 | K | Joback Calculated Property |
| Tc | 945.53 | K | Joback Calculated Property |
| Tfus | 477.69 | K | Joback Calculated Property |
| Vc | 0.735 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.95; 613.18] | J/mol×K | [751.77; 945.53] | 
|
| Cp,gas | 550.95 | J/mol×K | 751.77 | Joback Calculated Property |
| Cp,gas | 563.22 | J/mol×K | 784.06 | Joback Calculated Property |
| Cp,gas | 574.75 | J/mol×K | 816.36 | Joback Calculated Property |
| Cp,gas | 585.53 | J/mol×K | 848.65 | Joback Calculated Property |
| Cp,gas | 595.53 | J/mol×K | 880.94 | Joback Calculated Property |
| Cp,gas | 604.76 | J/mol×K | 913.24 | Joback Calculated Property |
| Cp,gas | 613.18 | J/mol×K | 945.53 | Joback Calculated Property |
| η | [0.0000213; 0.0003722] | Pa×s | [477.69; 751.77] |
|
| η | 0.0003722 | Pa×s | 477.69 | Joback Calculated Property |
| η | 0.0001877 | Pa×s | 523.37 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 569.05 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 614.73 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 660.41 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 706.09 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 751.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5-Triethoxybenzoic acid.
Sources
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