- InChI
- InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3
- InChI Key
- FJAKCEHATXBFJT-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CCOC(=O)C(=O)CC
- Molecular Weight1
- 130.14
- 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 | 0.4990 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | [1028.00; 1028.00] |
|
|
| Inp | 1028.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Tboil | 430.31 | K | Relay (1.0) Calculated Property |
| Tc | 615.98 | K | Relay (1.0) Calculated Property |
| Tfus | 248.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.97; 264.03] | J/mol×K | [448.97; 634.46] |
|
| Cp,gas | 211.97 | J/mol×K | 448.97 | Joback Calculated Property |
| Cp,gas | 221.59 | J/mol×K | 479.88 | Joback Calculated Property |
| Cp,gas | 230.84 | J/mol×K | 510.80 | Joback Calculated Property |
| Cp,gas | 239.71 | J/mol×K | 541.71 | Joback Calculated Property |
| Cp,gas | 248.20 | J/mol×K | 572.63 | Joback Calculated Property |
| Cp,gas | 256.30 | J/mol×K | 603.54 | Joback Calculated Property |
| Cp,gas | 264.03 | J/mol×K | 634.46 | Joback Calculated Property |
| η | [0.0002978; 0.0043769] | Pa×s | [249.64; 448.97] |
|
| η | 0.0043769 | Pa×s | 249.64 | Joback Calculated Property |
| η | 0.0021497 | Pa×s | 282.86 | Joback Calculated Property |
| η | 0.0012260 | Pa×s | 316.08 | Joback Calculated Property |
| η | 0.0007780 | Pa×s | 349.30 | Joback Calculated Property |
| η | 0.0005343 | Pa×s | 382.53 | Joback Calculated Property |
| η | 0.0003897 | Pa×s | 415.75 | Joback Calculated Property |
| η | 0.0002978 | Pa×s | 448.97 | Joback Calculated Property |
Similar Compounds
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