- InChI
- InChI=1S/C6H12O3/c1-6(8)9-5-3-2-4-7/h7H,2-5H2,1H3
- InChI Key
- FLVQOAUAIBIIGO-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CC(=O)OCCCCO
- Molecular Weight1
- 132.16
- 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).
- I : 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° | -371.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.78 | kJ/mol | Joback Calculated Property |
| log10WS | -0.46 | Crippen Calculated Property | |
| logPoct/wat | 0.322 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| I | [1826.00; 1826.00] |
|
|
| I | 1826.00 | NIST | |
| I | 1826.00 | NIST | |
| Tboil | 505.15 | K | Joback Calculated Property |
| Tc | 676.09 | K | Joback Calculated Property |
| Tfus | 290.36 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.47; 293.84] | J/mol×K | [505.15; 676.09] |
|
| Cp,gas | 245.47 | J/mol×K | 505.15 | Joback Calculated Property |
| Cp,gas | 254.32 | J/mol×K | 533.64 | Joback Calculated Property |
| Cp,gas | 262.85 | J/mol×K | 562.13 | Joback Calculated Property |
| Cp,gas | 271.06 | J/mol×K | 590.62 | Joback Calculated Property |
| Cp,gas | 278.97 | J/mol×K | 619.11 | Joback Calculated Property |
| Cp,gas | 286.56 | J/mol×K | 647.60 | Joback Calculated Property |
| Cp,gas | 293.84 | J/mol×K | 676.09 | Joback Calculated Property |
| η | [0.0001569; 0.0120283] | Pa×s | [290.36; 505.15] |
|
| η | 0.0120283 | Pa×s | 290.36 | Joback Calculated Property |
| η | 0.0039241 | Pa×s | 326.16 | Joback Calculated Property |
| η | 0.0015977 | Pa×s | 361.96 | Joback Calculated Property |
| η | 0.0007647 | Pa×s | 397.75 | Joback Calculated Property |
| η | 0.0004134 | Pa×s | 433.55 | Joback Calculated Property |
| η | 0.0002454 | Pa×s | 469.35 | Joback Calculated Property |
| η | 0.0001569 | Pa×s | 505.15 | Joback Calculated Property |
Similar Compounds
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Sources
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