- InChI
- InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
- InChI Key
- NIJJYAXOARWZEE-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCC(CCC)C(=O)O
- Molecular Weight1
- 144.21
- CAS
- 99-66-1
- Other Names
-
- (n-C3H7)2CHCOOH
- 2,2-Di-n-propylacetic acid
- 2-Propylvaleric acid
- 2-n-Propyl-n-valeric acid
- 2-propylpentanoic acid
- 4-Heptanecarboxylic acid
- 44089
- Abbott 44090
- Acetic acid, dipropyl-
- DPA
- Depakene
- Depakine
- Di-n-propylacetic acid
- Di-n-propylessigsaure
- Divalproex
- Ergenyl
- Kyselina 2-propylvalerova
- Mylproin
- NSC 93819
- Propylvaleric acid
- dipropylacetic acid
- n-DPA
- n-Dipropylacetic acid
- pentanoic acid, 2-propyl-
- valeric acid, 2-propyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ΔfH°gas | -561.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.80 | kJ/mol | Vaporization Enthalpy and Vapor Pressure of Valproic Acid by Correlation Gas Chromatography |
| ΔvapH° | 69.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.86 | Aq. Solubility Prediction | |
| logPoct/wat | 2.287 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Inp | [1084.00; 1116.00] |
|
|
| Inp | 1116.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Tboil | 493.20 | K | NIST |
| Tc | 674.81 | K | Relay (1.0) Calculated Property |
| Tfus | 244.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.25; 377.32] | J/mol×K | [527.71; 716.41] |
|
| Cp,gas | 312.25 | J/mol×K | 527.71 | Joback Calculated Property |
| Cp,gas | 324.51 | J/mol×K | 559.16 | Joback Calculated Property |
| Cp,gas | 336.18 | J/mol×K | 590.61 | Joback Calculated Property |
| Cp,gas | 347.27 | J/mol×K | 622.06 | Joback Calculated Property |
| Cp,gas | 357.81 | J/mol×K | 653.51 | Joback Calculated Property |
| Cp,gas | 367.82 | J/mol×K | 684.96 | Joback Calculated Property |
| Cp,gas | 377.32 | J/mol×K | 716.41 | Joback Calculated Property |
| η | [0.0002458; 0.0022215] | Pa×s | [325.52; 527.71] |
|
| η | 0.0022215 | Pa×s | 325.52 | Joback Calculated Property |
| η | 0.0012958 | Pa×s | 359.22 | Joback Calculated Property |
| η | 0.0008291 | Pa×s | 392.92 | Joback Calculated Property |
| η | 0.0005692 | Pa×s | 426.62 | Joback Calculated Property |
| η | 0.0004129 | Pa×s | 460.31 | Joback Calculated Property |
| η | 0.0003130 | Pa×s | 494.01 | Joback Calculated Property |
| η | 0.0002458 | Pa×s | 527.71 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [405.00; 512.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.01765e+01 | |||
| Coefficient B | -6.30193e+03 | |||
| Coefficient C | -8.81420e+01 | |||
| Temperature range, min. | 405.00 | |||
| Temperature range, max. | 512.09 | |||
| Pvap | 1.33 | kPa | 405.00 | Calculated Property |
| Pvap | 2.74 | kPa | 416.90 | Calculated Property |
| Pvap | 5.35 | kPa | 428.80 | Calculated Property |
| Pvap | 9.99 | kPa | 440.70 | Calculated Property |
| Pvap | 17.90 | kPa | 452.60 | Calculated Property |
| Pvap | 30.93 | kPa | 464.49 | Calculated Property |
| Pvap | 51.67 | kPa | 476.39 | Calculated Property |
| Pvap | 83.73 | kPa | 488.29 | Calculated Property |
| Pvap | 131.94 | kPa | 500.19 | Calculated Property |
| Pvap | 202.67 | kPa | 512.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Valproic Acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Vaporization Enthalpy and Vapor Pressure of Valproic Acid by Correlation Gas Chromatography
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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