- InChI
- InChI=1S/C11H16O7/c1-6(12)16-9-4-15-5-10(17-7(2)13)11(9)18-8(3)14/h9-11H,4-5H2,1-3H3
- InChI Key
- NEMMESQJOZVCAX-UHFFFAOYSA-N
- Formula
- C11H16O7
- SMILES
-
CC(=O)OC1COCC(OC(C)=O)C1OC(C)=
O - Molecular Weight1
- 260.24
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6292 | Relay (... Calculated Property | |
| ΔfG° | -737.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1300.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.50 | eV | Relay (... Calculated Property |
| log10WS | -0.86 | Relay (... Calculated Property | |
| logPoct/wat | -0.188 | Crippen Calculated Property | |
| McVol | 183.180 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | 1557.60 | NIST | |
| Tboil | 559.62 | K | Relay (... Calculated Property |
| Tc | 738.50 | K | Relay (... Calculated Property |
| Tfus | 316.31 | K | Relay (... Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.54; 611.91] | J/mol×K | [717.11; 927.75] | 
|
| Cp,gas | 538.54 | J/mol×K | 717.11 | Joback Calculated Property |
| Cp,gas | 553.52 | J/mol×K | 752.22 | Joback Calculated Property |
| Cp,gas | 567.45 | J/mol×K | 787.32 | Joback Calculated Property |
| Cp,gas | 580.28 | J/mol×K | 822.43 | Joback Calculated Property |
| Cp,gas | 591.99 | J/mol×K | 857.54 | Joback Calculated Property |
| Cp,gas | 602.55 | J/mol×K | 892.64 | Joback Calculated Property |
| Cp,gas | 611.91 | J/mol×K | 927.75 | Joback Calculated Property |
| η | [0.0001870; 0.0011838] | Pa×s | [455.68; 717.11] |
|
| η | 0.0011838 | Pa×s | 455.68 | Joback Calculated Property |
| η | 0.0007610 | Pa×s | 499.25 | Joback Calculated Property |
| η | 0.0005252 | Pa×s | 542.82 | Joback Calculated Property |
| η | 0.0003830 | Pa×s | 586.39 | Joback Calculated Property |
| η | 0.0002918 | Pa×s | 629.97 | Joback Calculated Property |
| η | 0.0002302 | Pa×s | 673.54 | Joback Calculated Property |
| η | 0.0001870 | Pa×s | 717.11 | Joback Calculated Property |
Similar Compounds
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Sources
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