- InChI
- InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
- InChI Key
- WSWCOQWTEOXDQX-MQQKCMAXSA-N
- Formula
- C6H8O2
- SMILES
- CC=CC=CC(=O)O
- Molecular Weight1
- 112.13
- CAS
- 110-44-1
- Other Names
-
- (2-Butenylidene)acetic acid
- (E,E)-2,4-hexadienoic acid
- (E,E)-Sorbic acid
- 1,3-Pentadiene-1-carboxylic acid, (E,E)-
- 2,4-Hexadienoic acid, (2E,4E)-
- 2,4-Hexadienoic acid, (E,E)-
- 2,4-Hexadienoic acid, (trans,trans)-
- 2,4-hexadienoic acid
- 2-Propenylacrylic acid
- 2E,4E-Hexadienoic acid
- Acetic acid, (2-butenylidene)-
- Acetic acid, crotylidene-
- Crotylidene acetic acid
- E 200
- Hexa-2,4-dienoic acid, (E,E)-
- Hexadienoic acid, (E,E)
- Kyselina 1,3-pentadien-1-karboxylova
- Kyselina sorbova
- Panosorb
- Preservastat
- Sorbic acid, (E,E)-
- Sorbistat
- hexa-2,4-dienoic acid
- trans,trans-2,4-Hexadienoic acid
- trans,trans-Sorbic acid
- «alpha»-trans-«gamma»-trans-Sorbic acid
- «alpha»-trans-«gamma»-trans-Sorbic acid
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3125.80 | kJ/mol | NIST |
| ΔcH°solid | -3123.00 | kJ/mol | NIST |
| ΔfG° | -105.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.29 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Aq. Sol... | |
| logPoct/wat | 1.203 | Crippen Calculated Property | |
| McVol | 94.240 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Inp | 1056.00 | NIST | |
| I | [2150.00; 2150.00] |
|
|
| I | 2150.00 | NIST | |
| I | 2150.00 | NIST | |
| Tboil | 491.05 | K | Joback Calculated Property |
| Tc | 678.28 | K | Joback Calculated Property |
| Tfus | [405.30; 407.65] | K |
|
| Tfus | 407.32 | K | Aq. Sol... |
| Tfus | 405.30 | K | Solubil... |
| Tfus | 407.65 | K | NIST |
| Vc | 0.356 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.33; 229.03] | J/mol×K | [491.05; 678.28] |
|
| Cp,gas | 188.33 | J/mol×K | 491.05 | Joback Calculated Property |
| Cp,gas | 196.17 | J/mol×K | 522.25 | Joback Calculated Property |
| Cp,gas | 203.56 | J/mol×K | 553.46 | Joback Calculated Property |
| Cp,gas | 210.51 | J/mol×K | 584.66 | Joback Calculated Property |
| Cp,gas | 217.05 | J/mol×K | 615.87 | Joback Calculated Property |
| Cp,gas | 223.22 | J/mol×K | 647.07 | Joback Calculated Property |
| Cp,gas | 229.03 | J/mol×K | 678.28 | Joback Calculated Property |
| η | [0.0001381; 0.0235893] | Pa×s | [257.97; 491.05] |
|
| η | 0.0235893 | Pa×s | 257.97 | Joback Calculated Property |
| η | 0.0057171 | Pa×s | 296.82 | Joback Calculated Property |
| η | 0.0019236 | Pa×s | 335.66 | Joback Calculated Property |
| η | 0.0008113 | Pa×s | 374.51 | Joback Calculated Property |
| η | 0.0004025 | Pa×s | 413.36 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 452.20 | Joback Calculated Property |
| η | 0.0001381 | Pa×s | 491.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sorbic Acid.
Mixtures
- Ethanol + Sorbic Acid
- Isopropyl Alcohol + Sorbic Acid
- Sorbic Acid + Methyl Alcohol
- 1-Butanol + Sorbic Acid
- Ethyl Acetate + Sorbic Acid
- Propane, 2-methoxy-2-methyl- + Sorbic Acid
- Acetone + Sorbic Acid
- Acetonitrile + Sorbic Acid
Sources
- Crippen Method
- Solubility and solution thermodynamics of sorbic acid in eight pure organic solvents
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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