- InChI
- InChI=1S/C9H12O5/c10-4-7(12)5-14-9-2-1-6(11)3-8(9)13/h1-3,7,10-13H,4-5H2
- InChI Key
- KTVVVQFVVLMWAL-UHFFFAOYSA-N
- Formula
- C9H12O5
- SMILES
- OCC(O)COc1ccc(O)cc1O
- Molecular Weight1
- 200.19
- 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° | -553.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.31 | kJ/mol | Joback Calculated Property |
| log10WS | -0.16 | Crippen Calculated Property | |
| logPoct/wat | -0.170 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 6122.63 | kPa | Joback Calculated Property |
| Inp | 2235.00 | NIST | |
| Tboil | 799.58 | K | Joback Calculated Property |
| Tc | 1005.81 | K | Joback Calculated Property |
| Tfus | 569.92 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.14; 467.68] | J/mol×K | [799.58; 1005.81] | 
|
| Cp,gas | 421.14 | J/mol×K | 799.58 | Joback Calculated Property |
| Cp,gas | 429.09 | J/mol×K | 833.95 | Joback Calculated Property |
| Cp,gas | 436.86 | J/mol×K | 868.32 | Joback Calculated Property |
| Cp,gas | 444.51 | J/mol×K | 902.69 | Joback Calculated Property |
| Cp,gas | 452.14 | J/mol×K | 937.07 | Joback Calculated Property |
| Cp,gas | 459.84 | J/mol×K | 971.44 | Joback Calculated Property |
| Cp,gas | 467.68 | J/mol×K | 1005.81 | Joback Calculated Property |
| η | [2.9604174e-08; 0.0000042] | Pa×s | [569.92; 799.58] |
|
| η | 0.0000042 | Pa×s | 569.92 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 608.20 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 646.47 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 684.75 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 723.03 | Joback Calculated Property |
| η | 5.4879783e-08 | Pa×s | 761.30 | Joback Calculated Property |
| η | 2.9604174e-08 | Pa×s | 799.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Guaifenesin M (OH).
Sources
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