- InChI
- InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
- InChI Key
- IZOQMUVIDMLRDC-UHFFFAOYSA-N
- Formula
- C7H12O3
- SMILES
- CC(=O)CCCCC(=O)O
- Molecular Weight1
- 144.17
- CAS
- 3128-07-2
- Other Names
-
- 6-oxoheptanoic acid
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.7454 | Relay (... Calculated Property | |
| ΔfG° | -386.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.27 | kJ/mol | Relay (... Calculated Property |
| IE | 9.67 | eV | Relay (... Calculated Property |
| log10WS | 0.03 | Relay (... Calculated Property | |
| logPoct/wat | 1.220 | Crippen Calculated Property | |
| McVol | 118.500 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 532.78 | K | Relay (... Calculated Property |
| Tc | 711.17 | K | Relay (... Calculated Property |
| Tfus | 342.44 | K | Relay (... Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.04; 328.96] | J/mol×K | [559.48; 738.19] | 
|
| Cp,gas | 280.04 | J/mol×K | 559.48 | Joback Calculated Property |
| Cp,gas | 289.21 | J/mol×K | 589.27 | Joback Calculated Property |
| Cp,gas | 297.96 | J/mol×K | 619.05 | Joback Calculated Property |
| Cp,gas | 306.30 | J/mol×K | 648.84 | Joback Calculated Property |
| Cp,gas | 314.24 | J/mol×K | 678.62 | Joback Calculated Property |
| Cp,gas | 321.79 | J/mol×K | 708.41 | Joback Calculated Property |
| Cp,gas | 328.96 | J/mol×K | 738.19 | Joback Calculated Property |
| η | [0.0001483; 0.0078882] | Pa×s | [329.33; 559.48] |
|
| η | 0.0078882 | Pa×s | 329.33 | Joback Calculated Property |
| η | 0.0028793 | Pa×s | 367.69 | Joback Calculated Property |
| η | 0.0012714 | Pa×s | 406.05 | Joback Calculated Property |
| η | 0.0006465 | Pa×s | 444.40 | Joback Calculated Property |
| η | 0.0003660 | Pa×s | 482.76 | Joback Calculated Property |
| η | 0.0002254 | Pa×s | 521.12 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 559.48 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 524.70 | K | 37.30 | NIST |
Similar Compounds
Find more compounds similar to Heptanoic acid, 6-oxo-.
Sources
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