- InChI
- InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3/i2D3
- InChI Key
- PGMYKACGEOXYJE-BMSJAHLVSA-N
- Formula
- C7H11D3O2
- SMILES
- CCCCCOC(C)=O
- Molecular Weight1
- 133.20
- 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).
- 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 | 0.4837 | Relay (1.0) Calculated Property | |
| ΔfG° | -225.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| I | [1173.00; 1173.00] |
|
|
| I | 1173.00 | NIST | |
| I | 1173.00 | NIST | |
| Tboil | 420.57 | K | Relay (1.0) Calculated Property |
| Tc | 594.07 | K | Relay (1.0) Calculated Property |
| Tfus | 205.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.65; 299.73] | J/mol×K | [435.85; 612.24] |
|
| Cp,gas | 238.65 | J/mol×K | 435.85 | Joback Calculated Property |
| Cp,gas | 249.76 | J/mol×K | 465.25 | Joback Calculated Property |
| Cp,gas | 260.50 | J/mol×K | 494.65 | Joback Calculated Property |
| Cp,gas | 270.86 | J/mol×K | 524.04 | Joback Calculated Property |
| Cp,gas | 280.85 | J/mol×K | 553.44 | Joback Calculated Property |
| Cp,gas | 290.48 | J/mol×K | 582.84 | Joback Calculated Property |
| Cp,gas | 299.73 | J/mol×K | 612.24 | Joback Calculated Property |
| η | [0.0002656; 0.0031909] | Pa×s | [240.81; 435.85] |
|
| η | 0.0031909 | Pa×s | 240.81 | Joback Calculated Property |
| η | 0.0016480 | Pa×s | 273.32 | Joback Calculated Property |
| η | 0.0009795 | Pa×s | 305.82 | Joback Calculated Property |
| η | 0.0006434 | Pa×s | 338.33 | Joback Calculated Property |
| η | 0.0004549 | Pa×s | 370.84 | Joback Calculated Property |
| η | 0.0003401 | Pa×s | 403.34 | Joback Calculated Property |
| η | 0.0002656 | Pa×s | 435.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to pentyl-d3 acetate.
Sources
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