- InChI
- InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
- InChI Key
- SDVVLIIVFBKBMG-ONEGZZNKSA-N
- Formula
- C5H6O2
- SMILES
- C=CC=CC(=O)O
- Molecular Weight1
- 98.10
- CAS
- 626-99-3
- Other Names
-
- 2,4-Pentadienoic acid
- «beta»-Vinylacrylic acid
- Butadiene-1-carboxylic acid
- «alpha»,«gamma»-Pentadienoic acid
- penta-2,4-dienoic 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 | 0.5916 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.813 | Crippen Calculated Property | |
| McVol | 80.150 | ml/mol | McGowan Calculated Property |
| Pc | 4356.87 | kPa | Joback Calculated Property |
| Tboil | 461.32 | K | Relay (1.0) Calculated Property |
| Tc | 640.80 | K | Relay (1.0) Calculated Property |
| Tfus | 360.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.275 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.74; 190.45] | J/mol×K | [460.35; 665.33] | 
|
| Cp,gas | 152.74 | J/mol×K | 460.35 | Joback Calculated Property |
| Cp,gas | 160.19 | J/mol×K | 494.51 | Joback Calculated Property |
| Cp,gas | 167.12 | J/mol×K | 528.68 | Joback Calculated Property |
| Cp,gas | 173.58 | J/mol×K | 562.84 | Joback Calculated Property |
| Cp,gas | 179.60 | J/mol×K | 597.00 | Joback Calculated Property |
| Cp,gas | 185.21 | J/mol×K | 631.16 | Joback Calculated Property |
| Cp,gas | 190.45 | J/mol×K | 665.33 | Joback Calculated Property |
| η | [0.0002523; 0.0013795] | Pa×s | [299.87; 460.35] |
|
| η | 0.0013795 | Pa×s | 299.87 | Joback Calculated Property |
| η | 0.0009256 | Pa×s | 326.62 | Joback Calculated Property |
| η | 0.0006597 | Pa×s | 353.36 | Joback Calculated Property |
| η | 0.0004932 | Pa×s | 380.11 | Joback Calculated Property |
| η | 0.0003830 | Pa×s | 406.86 | Joback Calculated Property |
| η | 0.0003069 | Pa×s | 433.60 | Joback Calculated Property |
| η | 0.0002523 | Pa×s | 460.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butadiene-1-carboxylic acid.
Sources
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