- InChI
- InChI=1S/C12H14O5/c1-7-5-9(15-3)6-10(17-8(2)13)11(7)12(14)16-4/h5-6H,1-4H3
- InChI Key
- SMXWUZTYUCQGAH-UHFFFAOYSA-N
- Formula
- C12H14O5
- SMILES
- COC(=O)c1c(C)cc(OC)cc1OC(C)=O
- Molecular Weight1
- 238.24
- 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° | -439.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.29 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 1.716 | Crippen Calculated Property | |
| McVol | 176.930 | ml/mol | McGowan Calculated Property |
| Pc | 2477.65 | kPa | Joback Calculated Property |
| Inp | [1686.00; 1686.00] |
|
|
| Inp | 1686.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Tboil | 690.58 | K | Joback Calculated Property |
| Tc | 901.91 | K | Joback Calculated Property |
| Tfus | 455.53 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.52; 524.65] | J/mol×K | [690.58; 901.91] |
|
| Cp,gas | 459.52 | J/mol×K | 690.58 | Joback Calculated Property |
| Cp,gas | 472.36 | J/mol×K | 725.80 | Joback Calculated Property |
| Cp,gas | 484.44 | J/mol×K | 761.02 | Joback Calculated Property |
| Cp,gas | 495.74 | J/mol×K | 796.25 | Joback Calculated Property |
| Cp,gas | 506.22 | J/mol×K | 831.47 | Joback Calculated Property |
| Cp,gas | 515.87 | J/mol×K | 866.69 | Joback Calculated Property |
| Cp,gas | 524.65 | J/mol×K | 901.91 | Joback Calculated Property |
| η | [0.0001158; 0.0005896] | Pa×s | [455.53; 690.58] |
|
| η | 0.0005896 | Pa×s | 455.53 | Joback Calculated Property |
| η | 0.0004037 | Pa×s | 494.70 | Joback Calculated Property |
| η | 0.0002922 | Pa×s | 533.88 | Joback Calculated Property |
| η | 0.0002211 | Pa×s | 573.05 | Joback Calculated Property |
| η | 0.0001734 | Pa×s | 612.23 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 651.40 | Joback Calculated Property |
| η | 0.0001158 | Pa×s | 690.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl everninate, acetylated.
Sources
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