- InChI
- InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
- InChI Key
- IUGYQRQAERSCNH-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CC(C)(C)C(=O)O
- Molecular Weight1
- 102.13
- CAS
- 75-98-9
- Other Names
-
- 2,2-Dimethylpropanoic acid
- 2,2-Dimethylpropionic acid
- Acetic acid, trimethyl-
- DIMETHYLPROPIONIC ACID
- Kyselina 2,2-dimethylpropionova
- Kyselina pivalova
- NSC 65449
- Neopentanoic acid
- Neovaleric acid
- Pivalic acid
- Propionic acid, 2,2-dimethyl-
- Trimethylacetic acid
- Versatic 5
- tert-C4H9COOH
- tert-Pentanoic acid
- «alpha»,«alpha»-Dimethylpropionic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 |
|---|---|---|---|
| ω | 0.5701 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2832.10 ± 5.90 | kJ/mol | NIST |
| ΔfG° | -349.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -564.50 ± 5.90 | kJ/mol | NIST |
| ΔfusH° | 11.44 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 73.20 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 58.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.08; 10.30] | eV |
|
| IE | 10.08 | eV | NIST |
| IE | 10.30 | eV | NIST |
| log10WS | -0.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.117 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Inp | 864.00 | NIST | |
| I | [1527.00; 1586.00] |
|
|
| I | 1527.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1586.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1527.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1586.00 | NIST | |
| Tboil | [374.60; 446.65] | K |
|
| Tboil | 437.20 | K | NIST |
| Tboil | 436.50 ± 0.50 | K | NIST |
| Tboil | Outlier 375.20 ± 2.00 | K | NIST |
| Tboil | Outlier 374.80 ± 2.00 | K | NIST |
| Tboil | Outlier 374.60 ± 2.00 | K | NIST |
| Tboil | 423.65 ± 5.00 | K | NIST |
| Tboil | 436.65 ± 3.00 | K | NIST |
| Tboil | 436.65 ± 2.00 | K | NIST |
| Tboil | 431.15 ± 5.00 | K | NIST |
| Tboil | 434.65 ± 3.00 | K | NIST |
| Tboil | 437.65 ± 1.00 | K | NIST |
| Tboil | 437.55 ± 0.50 | K | NIST |
| Tboil | 436.95 ± 1.00 | K | NIST |
| Tboil | 436.00 ± 4.00 | K | NIST |
| Tboil | 436.15 ± 3.00 | K | NIST |
| Tboil | 434.65 ± 4.00 | K | NIST |
| Tboil | 432.65 ± 4.00 | K | NIST |
| Tboil | 446.65 ± 5.00 | K | NIST |
| Tboil | 437.15 ± 1.50 | K | NIST |
| Tboil | 435.00 ± 3.00 | K | NIST |
| Tboil | 437.32 ± 0.50 | K | NIST |
| Tboil | 436.65 ± 2.00 | K | NIST |
| Tboil | 437.15 ± 1.50 | K | NIST |
| Tboil | 432.15 ± 3.00 | K | NIST |
| Tboil | 437.35 ± 1.00 | K | NIST |
| Tboil | 436.65 ± 3.00 | K | NIST |
| Tboil | 436.15 ± 2.00 | K | NIST |
| Tboil | 436.15 ± 2.00 | K | NIST |
| Tboil | 437.15 ± 2.00 | K | NIST |
| Tboil | 436.15 ± 2.00 | K | NIST |
| Tboil | 436.65 ± 2.00 | K | NIST |
| Tboil | 436.90 ± 2.00 | K | NIST |
| Tc | 605.61 | K | Relay (1.0) Calculated Property |
| Tfus | [304.00; 309.08] | K |
|
| Tfus | 309.08 ± 0.01 | K | NIST |
| Tfus | 308.55 ± 0.50 | K | NIST |
| Tfus | 308.55 ± 0.25 | K | NIST |
| Tfus | 308.82 ± 0.20 | K | NIST |
| Tfus | 307.20 ± 4.00 | K | NIST |
| Tfus | 306.25 ± 1.50 | K | NIST |
| Tfus | Outlier 304.00 ± 2.00 | K | NIST |
| Tfus | 308.15 ± 1.50 | K | NIST |
| Tfus | 307.15 ± 1.00 | K | NIST |
| Vc | 0.336 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [178.00; 192.20] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 192.20 | J/mol×K | 298.15 | NIST |
| Cp,solid | 178.00 | J/mol×K | 298.15 | NIST |
| ΔfusH | [2.27; 2.30] | kJ/mol | [309.10; 309.10] |
|
| ΔfusH | 2.30 | kJ/mol | 309.10 | NIST |
| ΔfusH | 2.27 | kJ/mol | 309.10 | NIST |
| ΔsubH | 62.30 | kJ/mol | 291.00 | NIST |
| ΔvapH | [47.00; 57.60] | kJ/mol | [408.00; 408.00] |
|
| ΔvapH | 57.60 ± 0.20 | kJ/mol | 408.00 | NIST |
| ΔvapH | 54.40 ± 0.20 | kJ/mol | 408.00 | NIST |
| ΔvapH | 50.90 ± 0.20 | kJ/mol | 408.00 | NIST |
| ΔvapH | 47.00 ± 0.40 | kJ/mol | 408.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.71; 289.53] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.15300e+01 | |||
| Coefficient B | 6.55460e-01 | |||
| Coefficient C | -4.92600e-04 | |||
| Coefficient D | 1.48200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 182.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 205.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 242.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 256.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 269.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 279.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 289.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020517; 0.0002950] | Pa×s | [307.97; 462.08] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.20037e+01 | |||
| Coefficient B | 1.79072e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 307.97 | |||
| Temperature range, max. | 462.08 | |||
| η | 0.0020517 | Pa×s | 307.97 | Calculated Property |
| η | 0.0015104 | Pa×s | 325.09 | Calculated Property |
| η | 0.0011465 | Pa×s | 342.22 | Calculated Property |
| η | 0.0008935 | Pa×s | 359.34 | Calculated Property |
| η | 0.0007123 | Pa×s | 376.46 | Calculated Property |
| η | 0.0005791 | Pa×s | 393.59 | Calculated Property |
| η | 0.0004791 | Pa×s | 410.71 | Calculated Property |
| η | 0.0004023 | Pa×s | 427.84 | Calculated Property |
| η | 0.0003425 | Pa×s | 444.96 | Calculated Property |
| η | 0.0002950 | Pa×s | 462.08 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.66] | kPa | [309.08; 466.92] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38753e+01 | |||
| Coefficient B | -2.97668e+03 | |||
| Coefficient C | -1.19330e+02 | |||
| Temperature range, min. | 309.08 | |||
| Temperature range, max. | 466.92 | |||
| Pvap | 0.16 | kPa | 309.08 | Calculated Property |
| Pvap | 0.62 | kPa | 326.62 | Calculated Property |
| Pvap | 1.89 | kPa | 344.16 | Calculated Property |
| Pvap | 4.92 | kPa | 361.69 | Calculated Property |
| Pvap | 11.27 | kPa | 379.23 | Calculated Property |
| Pvap | 23.25 | kPa | 396.77 | Calculated Property |
| Pvap | 44.00 | kPa | 414.31 | Calculated Property |
| Pvap | 77.51 | kPa | 431.84 | Calculated Property |
| Pvap | 128.57 | kPa | 449.38 | Calculated Property |
| Pvap | 202.66 | kPa | 466.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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