- 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
- 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° | -106.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.44 | kJ/mol | Joback Calculated Property |
| log10WS | -0.72 | Crippen Calculated Property | |
| logPoct/wat | 0.813 | Crippen Calculated Property | |
| McVol | 80.150 | ml/mol | McGowan Calculated Property |
| Pc | 4762.81 | kPa | Joback Calculated Property |
| Tboil | 460.69 | K | Joback Calculated Property |
| Tc | 645.09 | K | Joback Calculated Property |
| Tfus | 250.02 | K | Joback Calculated Property |
| Vc | 0.301 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.49; 184.57] | J/mol×K | [460.69; 645.09] | 
|
| Cp,gas | 150.49 | J/mol×K | 460.69 | Joback Calculated Property |
| Cp,gas | 157.04 | J/mol×K | 491.42 | Joback Calculated Property |
| Cp,gas | 163.22 | J/mol×K | 522.16 | Joback Calculated Property |
| Cp,gas | 169.04 | J/mol×K | 552.89 | Joback Calculated Property |
| Cp,gas | 174.52 | J/mol×K | 583.62 | Joback Calculated Property |
| Cp,gas | 179.69 | J/mol×K | 614.36 | Joback Calculated Property |
| Cp,gas | 184.57 | J/mol×K | 645.09 | Joback Calculated Property |
| η | [0.0001998; 0.0258239] | Pa×s | [250.02; 460.69] |
|
| η | 0.0258239 | Pa×s | 250.02 | Joback Calculated Property |
| η | 0.0069735 | Pa×s | 285.13 | Joback Calculated Property |
| η | 0.0025093 | Pa×s | 320.24 | Joback Calculated Property |
| η | 0.0011050 | Pa×s | 355.36 | Joback Calculated Property |
| η | 0.0005640 | Pa×s | 390.47 | Joback Calculated Property |
| η | 0.0003216 | Pa×s | 425.58 | Joback Calculated Property |
| η | 0.0001998 | Pa×s | 460.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butadiene-1-carboxylic acid.
Sources
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