- InChI
- InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3/i1D3,2D3
- InChI Key
- XUPYJHCZDLZNFP-WFGJKAKNSA-N
- Formula
- C8H10D6O2
- SMILES
- CCCCOC(=O)CCC
- Molecular Weight1
- 150.25
- 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).
- 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° | -217.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| I | [1212.00; 1212.00] |
|
|
| I | 1212.00 | NIST | |
| I | 1212.00 | NIST | |
| Tboil | 458.73 | K | Joback Calculated Property |
| Tc | 633.80 | K | Joback Calculated Property |
| Tfus | 252.08 | K | Joback Calculated Property |
| Vc | 0.507 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.70; 346.77] | J/mol×K | [458.73; 633.80] |
|
| Cp,gas | 279.70 | J/mol×K | 458.73 | Joback Calculated Property |
| Cp,gas | 291.94 | J/mol×K | 487.91 | Joback Calculated Property |
| Cp,gas | 303.75 | J/mol×K | 517.09 | Joback Calculated Property |
| Cp,gas | 315.14 | J/mol×K | 546.26 | Joback Calculated Property |
| Cp,gas | 326.10 | J/mol×K | 575.44 | Joback Calculated Property |
| Cp,gas | 336.64 | J/mol×K | 604.62 | Joback Calculated Property |
| Cp,gas | 346.77 | J/mol×K | 633.80 | Joback Calculated Property |
| η | [0.0002540; 0.0032831] | Pa×s | [252.08; 458.73] |
|
| η | 0.0032831 | Pa×s | 252.08 | Joback Calculated Property |
| η | 0.0016585 | Pa×s | 286.52 | Joback Calculated Property |
| η | 0.0009701 | Pa×s | 320.96 | Joback Calculated Property |
| η | 0.0006296 | Pa×s | 355.40 | Joback Calculated Property |
| η | 0.0004410 | Pa×s | 389.85 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 424.29 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 458.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl-d3 butanoate-d3.
Sources
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