- InChI
- InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3
- InChI Key
- HHEIMYAXCOIQCJ-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCOC(=O)C(C)(C)C
- Molecular Weight1
- 130.18
- CAS
- 3938-95-2
- Other Names
-
- 2,2-Dimethylpropanoic acid ethyl ester
- 2,2-Dimethylpropionic acid, ethyl ester
- ETHYL 2,2-DIMETHYLPROPIONATE
- ETHYL ESTER PIVALIC ACID
- ETHYL PIVALATE
- Ethyl 2,2-dimethylpropanoate
- Ethyl trimethylacetate
- NSC 17494
- Pivalic acid, ethyl ester
- Trimethylacetic acid, ethyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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°liquid : Liquid phase 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).
- 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).
- 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 | 0.3961 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-4188.50; -4178.10] | kJ/mol |
|
| ΔcH°liquid | -4188.50 ± 1.00 | kJ/mol | NIST |
| ΔcH°liquid | -4178.10 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -299.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-536.00; -525.60] | kJ/mol |
|
| ΔfH°gas | -525.60 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | -536.00 | kJ/mol | NIST |
| ΔfH°liquid | [-577.20; -566.80] | kJ/mol |
|
| ΔfH°liquid | -566.80 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | -577.20 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 10.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.20; 4150.00] | kJ/mol |
|
| ΔvapH° | 41.20 | kJ/mol | NIST |
| ΔvapH° | 41.30 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 4150.00 | kJ/mol | NIST |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [771.00; 777.00] |
|
|
| Inp | 772.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 772.00 | NIST | |
| I | [947.00; 950.00] |
|
|
| I | 950.00 | NIST | |
| I | 947.00 | NIST | |
| Tboil | [389.65; 391.55] | K |
|
| Tboil | 391.50 | K | KDB |
| Tboil | 391.20 | K | NIST |
| Tboil | 391.55 ± 0.40 | K | NIST |
| Tboil | 391.50 ± 0.10 | K | NIST |
| Tboil | Outlier 389.65 ± 2.00 | K | NIST |
| Tboil | 391.55 ± 0.40 | K | NIST |
| Tc | 572.02 | K | Relay (1.0) Calculated Property |
| Tfus | 183.60 ± 0.10 | K | NIST |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.84; 303.48] | J/mol×K | [414.75; 598.81] |
|
| Cp,gas | 235.84 | J/mol×K | 414.75 | Joback Calculated Property |
| Cp,gas | 248.56 | J/mol×K | 445.43 | Joback Calculated Property |
| Cp,gas | 260.68 | J/mol×K | 476.10 | Joback Calculated Property |
| Cp,gas | 272.21 | J/mol×K | 506.78 | Joback Calculated Property |
| Cp,gas | 283.18 | J/mol×K | 537.46 | Joback Calculated Property |
| Cp,gas | 293.60 | J/mol×K | 568.14 | Joback Calculated Property |
| Cp,gas | 303.48 | J/mol×K | 598.81 | Joback Calculated Property |
| Cp,liquid | [251.30; 277.80] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 277.80 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 251.30 | J/mol×K | 298.15 | NIST |
| η | [0.0002720; 0.0103557] | Pa×s | [213.40; 414.75] |
|
| η | 0.0103557 | Pa×s | 213.40 | Joback Calculated Property |
| η | 0.0037390 | Pa×s | 246.96 | Joback Calculated Property |
| η | 0.0017226 | Pa×s | 280.52 | Joback Calculated Property |
| η | 0.0009366 | Pa×s | 314.07 | Joback Calculated Property |
| η | 0.0005728 | Pa×s | 347.63 | Joback Calculated Property |
| η | 0.0003820 | Pa×s | 381.19 | Joback Calculated Property |
| η | 0.0002720 | Pa×s | 414.75 | Joback Calculated Property |
| ΔvapH | [33.80; 39.80] | kJ/mol | [368.50; 368.50] |
|
| ΔvapH | 39.80 ± 0.10 | kJ/mol | 368.50 | NIST |
| ΔvapH | 36.90 ± 0.20 | kJ/mol | 368.50 | NIST |
| ΔvapH | 33.80 ± 0.60 | kJ/mol | 368.50 | NIST |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dimethyl-, ethyl ester.
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