- InChI
- InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3/i1D3
- InChI Key
- DKPFZGUDAPQIHT-FIBGUPNXSA-N
- Formula
- C6H9D3O2
- SMILES
- CCCCOC(C)=O
- Molecular Weight1
- 119.18
- 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 | 0.4356 | Relay (1.0) Calculated Property | |
| ΔfG° | -310.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.350 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| I | [1073.00; 1073.00] |
|
|
| I | 1073.00 | NIST | |
| I | 1073.00 | NIST | |
| Tboil | 397.22 | K | Relay (1.0) Calculated Property |
| Tc | 574.34 | K | Relay (1.0) Calculated Property |
| Tfus | 186.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.64; 251.34] | J/mol×K | [395.10; 568.77] |
|
| Cp,gas | 195.64 | J/mol×K | 395.10 | Joback Calculated Property |
| Cp,gas | 205.77 | J/mol×K | 424.05 | Joback Calculated Property |
| Cp,gas | 215.57 | J/mol×K | 452.99 | Joback Calculated Property |
| Cp,gas | 225.02 | J/mol×K | 481.94 | Joback Calculated Property |
| Cp,gas | 234.14 | J/mol×K | 510.88 | Joback Calculated Property |
| Cp,gas | 242.91 | J/mol×K | 539.83 | Joback Calculated Property |
| Cp,gas | 251.34 | J/mol×K | 568.77 | Joback Calculated Property |
| η | [0.0002623; 0.0060165] | Pa×s | [199.71; 395.10] |
|
| η | 0.0060165 | Pa×s | 199.71 | Joback Calculated Property |
| η | 0.0024753 | Pa×s | 232.28 | Joback Calculated Property |
| η | 0.0012670 | Pa×s | 264.84 | Joback Calculated Property |
| η | 0.0007510 | Pa×s | 297.40 | Joback Calculated Property |
| η | 0.0004935 | Pa×s | 329.97 | Joback Calculated Property |
| η | 0.0003497 | Pa×s | 362.53 | Joback Calculated Property |
| η | 0.0002623 | Pa×s | 395.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl-d3 acetate.
Sources
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