- InChI
- InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
- InChI Key
- MGTZCLMLSSAXLD-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CC(=O)CCCC(=O)O
- Molecular Weight1
- 130.14
- CAS
- 3128-06-1
- Other Names
-
- 5-Oxohexanoic acid
- 5-Ketohexanoic acid
- Hexanoic acid, 5-oxo-
- «delta»-Ketocaproic acid
- «delta»-Oxocaproic acid
- «gamma»-Acetylbutyric acid
- 5-Ketocaproic acid
- 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).
- 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° | -395.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.12 | kJ/mol | Joback Calculated Property |
| log10WS | -0.71 | Crippen Calculated Property | |
| logPoct/wat | 0.830 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Tboil | 547.70 | K | NIST |
| Tc | 717.02 | K | Joback Calculated Property |
| Tfus | 318.06 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.46; 280.28] | J/mol×K | [536.60; 717.02] | 
|
| Cp,gas | 236.46 | J/mol×K | 536.60 | Joback Calculated Property |
| Cp,gas | 244.67 | J/mol×K | 566.67 | Joback Calculated Property |
| Cp,gas | 252.51 | J/mol×K | 596.74 | Joback Calculated Property |
| Cp,gas | 259.98 | J/mol×K | 626.81 | Joback Calculated Property |
| Cp,gas | 267.09 | J/mol×K | 656.88 | Joback Calculated Property |
| Cp,gas | 273.85 | J/mol×K | 686.95 | Joback Calculated Property |
| Cp,gas | 280.28 | J/mol×K | 717.02 | Joback Calculated Property |
| η | [0.0001746; 0.0090999] | Pa×s | [318.06; 536.60] |
|
| η | 0.0090999 | Pa×s | 318.06 | Joback Calculated Property |
| η | 0.0033564 | Pa×s | 354.48 | Joback Calculated Property |
| η | 0.0014909 | Pa×s | 390.91 | Joback Calculated Property |
| η | 0.0007605 | Pa×s | 427.33 | Joback Calculated Property |
| η | 0.0004312 | Pa×s | 463.75 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 500.18 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 536.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetylbutyric acid.
Sources
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