- InChI
- InChI=1S/C10H20O2/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3,(H,11,12)
- InChI Key
- KQYRYPXQPKPVSP-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCC(CCCC)C([O])=O
- Molecular Weight1
- 172.26
- CAS
- 3115-28-4
- Other Names
-
- 2-Butylhexanoic acid
- Dibutylacetic acid
- Isocarb 10
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6421 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -576.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.940 | Crippen Calculated Property | |
| McVol | 157.050 | ml/mol | McGowan Calculated Property |
| Pc | 2272.94 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 487.26 | K | Relay (1.0) Calculated Property |
| Tc | 671.69 | K | Relay (1.0) Calculated Property |
| Tfus | 213.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 2-butyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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