- InChI
- InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3/i1D3
- InChI Key
- XUPYJHCZDLZNFP-FIBGUPNXSA-N
- Formula
- C8H13D3O2
- SMILES
- CCCCOC(=O)CCC
- Molecular Weight1
- 147.23
- 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 | 0.5422 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| I | [1212.00; 1212.00] |
|
|
| I | 1212.00 | NIST | |
| I | 1212.00 | NIST | |
| Tboil | 429.75 | K | Relay (1.0) Calculated Property |
| Tc | 618.39 | K | Relay (1.0) Calculated Property |
| Tfus | 186.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.34; 342.68] | J/mol×K | [440.86; 612.60] |
|
| Cp,gas | 274.34 | J/mol×K | 440.86 | Joback Calculated Property |
| Cp,gas | 286.86 | J/mol×K | 469.48 | Joback Calculated Property |
| Cp,gas | 298.93 | J/mol×K | 498.11 | Joback Calculated Property |
| Cp,gas | 310.54 | J/mol×K | 526.73 | Joback Calculated Property |
| Cp,gas | 321.69 | J/mol×K | 555.36 | Joback Calculated Property |
| Cp,gas | 332.41 | J/mol×K | 583.98 | Joback Calculated Property |
| Cp,gas | 342.68 | J/mol×K | 612.60 | Joback Calculated Property |
| η | [0.0002405; 0.0061578] | Pa×s | [222.25; 440.86] |
|
| η | 0.0061578 | Pa×s | 222.25 | Joback Calculated Property |
| η | 0.0024513 | Pa×s | 258.69 | Joback Calculated Property |
| η | 0.0012250 | Pa×s | 295.12 | Joback Calculated Property |
| η | 0.0007130 | Pa×s | 331.55 | Joback Calculated Property |
| η | 0.0004620 | Pa×s | 367.99 | Joback Calculated Property |
| η | 0.0003236 | Pa×s | 404.42 | Joback Calculated Property |
| η | 0.0002405 | Pa×s | 440.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl-d3 butanoate.
Sources
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