- InChI
- InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
- InChI Key
- WYEPBHZLDUPIOD-UHFFFAOYSA-N
- Formula
- C7H10O4
- SMILES
- CC(=O)CC(=O)CCC(=O)O
- Molecular Weight1
- 158.15
- CAS
- 51568-18-4
- Other Names
-
- Heptanoic acid, 4,6-dioxo-
- SA
- 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 | 0.7440 | Relay (1.0) Calculated Property | |
| ΔfG° | -515.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.399 | Crippen Calculated Property | |
| McVol | 120.070 | ml/mol | McGowan Calculated Property |
| Pc | 3862.67 | kPa | Joback Calculated Property |
| Inp | [1350.40; 1350.40] |
|
|
| Inp | 1350.40 | NIST | |
| Inp | 1350.40 | NIST | |
| Tboil | 534.98 | K | Relay (1.0) Calculated Property |
| Tc | 741.66 | K | Relay (1.0) Calculated Property |
| Tfus | 375.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.45; 334.94] | J/mol×K | [613.35; 799.87] |
|
| Cp,gas | 291.45 | J/mol×K | 613.35 | Joback Calculated Property |
| Cp,gas | 299.76 | J/mol×K | 644.44 | Joback Calculated Property |
| Cp,gas | 307.62 | J/mol×K | 675.52 | Joback Calculated Property |
| Cp,gas | 315.07 | J/mol×K | 706.61 | Joback Calculated Property |
| Cp,gas | 322.09 | J/mol×K | 737.70 | Joback Calculated Property |
| Cp,gas | 328.72 | J/mol×K | 768.79 | Joback Calculated Property |
| Cp,gas | 334.94 | J/mol×K | 799.87 | Joback Calculated Property |
| η | [0.0001268; 0.0039918] | Pa×s | [379.26; 613.35] |
|
| η | 0.0039918 | Pa×s | 379.26 | Joback Calculated Property |
| η | 0.0017181 | Pa×s | 418.28 | Joback Calculated Property |
| η | 0.0008539 | Pa×s | 457.29 | Joback Calculated Property |
| η | 0.0004737 | Pa×s | 496.31 | Joback Calculated Property |
| η | 0.0002863 | Pa×s | 535.32 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 574.34 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 613.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-Dioxoheptanoic acid.
Sources
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