- InChI
- InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2
- InChI Key
- NEZJDVYDSZTRFS-UHFFFAOYSA-N
- Formula
- C12H16O6
- SMILES
- OCC1OC(Oc2ccccc2)C(O)C(O)C1O
- Molecular Weight1
- 256.25
- 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° | -582.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -954.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.46 | Aq. Sol... | |
| logPoct/wat | -1.135 | Crippen Calculated Property | |
| McVol | 180.540 | ml/mol | McGowan Calculated Property |
| Pc | 3791.65 | kPa | Joback Calculated Property |
| Tboil | 919.60 | K | Joback Calculated Property |
| Tc | 1126.66 | K | Joback Calculated Property |
| Tfus | 438.65 | K | Aq. Sol... |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.89; 663.73] | J/mol×K | [919.60; 1126.66] | 
|
| Cp,gas | 624.89 | J/mol×K | 919.60 | Joback Calculated Property |
| Cp,gas | 633.91 | J/mol×K | 954.11 | Joback Calculated Property |
| Cp,gas | 641.90 | J/mol×K | 988.62 | Joback Calculated Property |
| Cp,gas | 648.87 | J/mol×K | 1023.13 | Joback Calculated Property |
| Cp,gas | 654.83 | J/mol×K | 1057.64 | Joback Calculated Property |
| Cp,gas | 659.78 | J/mol×K | 1092.15 | Joback Calculated Property |
| Cp,gas | 663.73 | J/mol×K | 1126.66 | Joback Calculated Property |
| η | [0.0000002; 0.0001127] | Pa×s | [533.92; 919.60] |
|
| η | 0.0001127 | Pa×s | 533.92 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 598.20 | Joback Calculated Property |
| η | 0.0000065 | Pa×s | 662.48 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 726.76 | Joback Calculated Property |
| η | 0.0000010 | Pa×s | 791.04 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 855.32 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 919.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(hydroxymethyl)-6-(phenoxy)oxane-3,4,5-triol.
Sources
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