- InChI
- InChI=1S/C12H12O5/c13-11-9-3-1-2-4-10(9)12(14)17-8-6-15-5-7-16-11/h1-4H,5-8H2
- InChI Key
- LZEGUDFMCKJMPX-UHFFFAOYSA-N
- Formula
- C12H12O5
- SMILES
- O=C1OCCOCCOC(=O)c2ccccc21
- Molecular Weight1
- 236.22
- CAS
- 13988-26-6
- Other Names
-
- 3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -354.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.030 | Crippen Calculated Property | |
| McVol | 166.070 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Inp | [1947.00; 1947.00] |
|
|
| Inp | 1947.00 | NIST | |
| Inp | 1947.00 | NIST | |
| Inp | 1947.00 | NIST | |
| Tboil | 759.14 | K | Joback Calculated Property |
| Tc | 1040.15 | K | Joback Calculated Property |
| Tfus | 481.15 | K | Joback Calculated Property |
| Vc | 0.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.00; 562.23] | J/mol×K | [759.14; 1040.15] |
|
| Cp,gas | 492.00 | J/mol×K | 759.14 | Joback Calculated Property |
| Cp,gas | 509.28 | J/mol×K | 805.97 | Joback Calculated Property |
| Cp,gas | 524.47 | J/mol×K | 852.81 | Joback Calculated Property |
| Cp,gas | 537.46 | J/mol×K | 899.64 | Joback Calculated Property |
| Cp,gas | 548.16 | J/mol×K | 946.48 | Joback Calculated Property |
| Cp,gas | 556.45 | J/mol×K | 993.31 | Joback Calculated Property |
| Cp,gas | 562.23 | J/mol×K | 1040.15 | Joback Calculated Property |
Similar Compounds
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Sources
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