- InChI
- InChI=1S/C8H16O2/c1-5-7(9)10-8(3,4)6-2/h5-6H2,1-4H3
- InChI Key
- RHSLWHLBYFOBAF-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCC(=O)OC(C)(C)CC
- Molecular Weight1
- 144.21
- Other Names
-
- 1,1-dimethylpropyl propanoate
- 2-butanol, 2-methyl-, propanoate
- tert-amyl propionate
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -214.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [847.00; 893.00] |
|
|
| Inp | 847.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 893.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 847.00 | NIST | |
| I | [1087.00; 1108.00] |
|
|
| I | 1108.00 | NIST | |
| I | 1087.00 | NIST | |
| I | 1089.00 | NIST | |
| I | 1108.00 | NIST | |
| Tboil | 455.50 | K | Joback Calculated Property |
| Tc | 641.54 | K | Joback Calculated Property |
| Tfus | 254.50 | K | Joback Calculated Property |
| Vc | 0.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.32; 353.92] | J/mol×K | [455.50; 641.54] |
|
| Cp,gas | 282.32 | J/mol×K | 455.50 | Joback Calculated Property |
| Cp,gas | 295.73 | J/mol×K | 486.51 | Joback Calculated Property |
| Cp,gas | 308.53 | J/mol×K | 517.51 | Joback Calculated Property |
| Cp,gas | 320.73 | J/mol×K | 548.52 | Joback Calculated Property |
| Cp,gas | 332.35 | J/mol×K | 579.53 | Joback Calculated Property |
| Cp,gas | 343.41 | J/mol×K | 610.54 | Joback Calculated Property |
| Cp,gas | 353.92 | J/mol×K | 641.54 | Joback Calculated Property |
| η | [0.0002582; 0.0046923] | Pa×s | [254.50; 455.50] |
|
| η | 0.0046923 | Pa×s | 254.50 | Joback Calculated Property |
| η | 0.0021847 | Pa×s | 288.00 | Joback Calculated Property |
| η | 0.0011929 | Pa×s | 321.50 | Joback Calculated Property |
| η | 0.0007301 | Pa×s | 355.00 | Joback Calculated Property |
| η | 0.0004864 | Pa×s | 388.50 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 422.00 | Joback Calculated Property |
| η | 0.0002582 | Pa×s | 455.50 | Joback Calculated Property |
| Pvap | [0.11; 1.24] | kPa | [273.90; 310.40] |
|
| Pvap | 0.11 | kPa | 273.90 | Transpi... |
| Pvap | 0.12 | kPa | 274.90 | Transpi... |
| Pvap | 0.14 | kPa | 276.90 | Transpi... |
| Pvap | 0.17 | kPa | 278.90 | Transpi... |
| Pvap | 0.19 | kPa | 281.00 | Transpi... |
| Pvap | 0.22 | kPa | 283.00 | Transpi... |
| Pvap | 0.27 | kPa | 286.00 | Transpi... |
| Pvap | 0.33 | kPa | 289.10 | Transpi... |
| Pvap | 0.41 | kPa | 292.20 | Transpi... |
| Pvap | 0.50 | kPa | 295.20 | Transpi... |
| Pvap | 0.60 | kPa | 298.20 | Transpi... |
| Pvap | 0.72 | kPa | 301.20 | Transpi... |
| Pvap | 0.85 | kPa | 304.30 | Transpi... |
| Pvap | 1.02 | kPa | 307.40 | Transpi... |
| Pvap | 1.24 | kPa | 310.40 | Transpi... |
Similar Compounds
Find more compounds similar to Propanoic acid, 1,1-dimethylpropyl ester.
Sources
- Crippen Method
- Crippen Method
- Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
- Joback Method
- McGowan Method
- NIST Webbook
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