- 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-Propylpentanoic acid
- 2-Propylvaleric acid
- 2-n-Propyl-n-valeric acid
- 4-Heptanecarboxylic acid
- 44089
- Abbott 44090
- Acetic acid, dipropyl-
- DPA
- Depakene
- Depakine
- Di-n-propylacetic acid
- Di-n-propylessigsaure
- Dipropylacetic acid
- Divalproex
- Ergenyl
- Kyselina 2-propylvalerova
- Mylproin
- NSC 93819
- Pentanoic acid, 2-propyl-
- Propylvaleric acid
- Valeric acid, 2-propyl-
- n-DPA
- n-Dipropylacetic 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).
- 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 |
|---|---|---|---|
| ΔfG° | -251.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.80 | kJ/mol | Vaporiz... |
| ΔvapH° | 56.44 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Aq. Sol... | |
| logPoct/wat | 2.287 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | 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 | 700.14 | K | Joback Calculated Property |
| Tfus | 275.67 | K | Joback Calculated Property |
| Vc | 0.502 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.75; 369.66] | J/mol×K | [528.05; 700.14] |
|
| Cp,gas | 309.75 | J/mol×K | 528.05 | Joback Calculated Property |
| Cp,gas | 320.87 | J/mol×K | 556.73 | Joback Calculated Property |
| Cp,gas | 331.52 | J/mol×K | 585.41 | Joback Calculated Property |
| Cp,gas | 341.71 | J/mol×K | 614.10 | Joback Calculated Property |
| Cp,gas | 351.46 | J/mol×K | 642.78 | Joback Calculated Property |
| Cp,gas | 360.77 | J/mol×K | 671.46 | Joback Calculated Property |
| Cp,gas | 369.66 | J/mol×K | 700.14 | Joback Calculated Property |
| η | [0.0001397; 0.0284980] | Pa×s | [275.67; 528.05] |
|
| η | 0.0284980 | Pa×s | 275.67 | Joback Calculated Property |
| η | 0.0065326 | Pa×s | 317.73 | Joback Calculated Property |
| η | 0.0021132 | Pa×s | 359.80 | Joback Calculated Property |
| η | 0.0008658 | Pa×s | 401.86 | Joback Calculated Property |
| η | 0.0004201 | Pa×s | 443.92 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 485.99 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 528.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [405.00; 512.09] |
The Yaw...
|
| 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
- 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
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