- InChI
- InChI=1S/C9H18O2/c1-5-6-7-8(10)11-9(2,3)4/h5-7H2,1-4H3
- InChI Key
- SCSLUABEVMLYEA-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCC(=O)OC(C)(C)C
- Molecular Weight1
- 158.24
- CAS
- 23361-78-6
- ω : Acentric Factor.
- 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).
- 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 | 0.4967 | Relay (1.0) Calculated Property | |
| ΔfG° | -282.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [957.00; 957.00] |
|
|
| Inp | 957.00 | NIST | |
| Inp | 957.00 | NIST | |
| I | [1135.00; 1135.00] |
|
|
| I | 1135.00 | NIST | |
| I | 1135.00 | NIST | |
| Tboil | 421.39 | K | Relay (1.0) Calculated Property |
| Tc | 607.62 | K | Relay (1.0) Calculated Property |
| Tfus | 195.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.562 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.52; 397.94] | J/mol×K | [460.51; 641.53] |
|
| Cp,gas | 319.52 | J/mol×K | 460.51 | Joback Calculated Property |
| Cp,gas | 334.26 | J/mol×K | 490.68 | Joback Calculated Property |
| Cp,gas | 348.30 | J/mol×K | 520.85 | Joback Calculated Property |
| Cp,gas | 361.68 | J/mol×K | 551.02 | Joback Calculated Property |
| Cp,gas | 374.40 | J/mol×K | 581.19 | Joback Calculated Property |
| Cp,gas | 386.48 | J/mol×K | 611.36 | Joback Calculated Property |
| Cp,gas | 397.94 | J/mol×K | 641.53 | Joback Calculated Property |
| η | [0.0002278; 0.0091767] | Pa×s | [235.94; 460.51] |
|
| η | 0.0091767 | Pa×s | 235.94 | Joback Calculated Property |
| η | 0.0032512 | Pa×s | 273.37 | Joback Calculated Property |
| η | 0.0014789 | Pa×s | 310.80 | Joback Calculated Property |
| η | 0.0007968 | Pa×s | 348.23 | Joback Calculated Property |
| η | 0.0004841 | Pa×s | 385.65 | Joback Calculated Property |
| η | 0.0003212 | Pa×s | 423.08 | Joback Calculated Property |
| η | 0.0002278 | Pa×s | 460.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 1,1-dimethylethyl ester.
Sources
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