- InChI
- InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2-
- InChI Key
- UIUWNILCHFBLEQ-IHWYPQMZSA-N
- Formula
- C5H8O2
- SMILES
- CC=CCC([O])=O
- Molecular Weight1
- 100.12
- CAS
- 33698-87-2
- Other Names
-
- cis-Beta,gamma-penteneoic acid
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 | 0.4541 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4034.00 | kJ/mol | NIST |
| ΔfG° | -220.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -359.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 39.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.910 | Crippen Calculated Property | |
| McVol | 82.300 | ml/mol | McGowan Calculated Property |
| Pc | 3878.66 ± 100.00 | kPa | NIST |
| Tboil | 417.42 | K | Relay (1.0) Calculated Property |
| Tc | 646.87 ± 3.00 | K | NIST |
| Tfus | 191.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.301 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-CH3CH=CHCH2COOH.
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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