- 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
- 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).
- 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 | 0.7092 | Relay (1.0) Calculated Property | |
| ΔfG° | -473.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.830 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Tboil | 547.70 | K | NIST |
| Tc | 712.57 | K | Relay (1.0) Calculated Property |
| Tfus | 333.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.02; 286.67] | J/mol×K | [536.26; 734.59] | 
|
| Cp,gas | 239.02 | J/mol×K | 536.26 | Joback Calculated Property |
| Cp,gas | 248.12 | J/mol×K | 569.31 | Joback Calculated Property |
| Cp,gas | 256.72 | J/mol×K | 602.37 | Joback Calculated Property |
| Cp,gas | 264.87 | J/mol×K | 635.42 | Joback Calculated Property |
| Cp,gas | 272.56 | J/mol×K | 668.48 | Joback Calculated Property |
| Cp,gas | 279.82 | J/mol×K | 701.53 | Joback Calculated Property |
| Cp,gas | 286.67 | J/mol×K | 734.59 | Joback Calculated Property |
| η | [0.0003185; 0.0015983] | Pa×s | [367.91; 536.26] |
|
| η | 0.0015983 | Pa×s | 367.91 | Joback Calculated Property |
| η | 0.0011105 | Pa×s | 395.97 | Joback Calculated Property |
| η | 0.0008097 | Pa×s | 424.03 | Joback Calculated Property |
| η | 0.0006140 | Pa×s | 452.09 | Joback Calculated Property |
| η | 0.0004809 | Pa×s | 480.14 | Joback Calculated Property |
| η | 0.0003869 | Pa×s | 508.20 | Joback Calculated Property |
| η | 0.0003185 | Pa×s | 536.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetylbutyric acid.
Sources
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