- InChI
- InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3/i1D3
- InChI Key
- HUAZGNHGCJGYNP-FIBGUPNXSA-N
- Formula
- C7H11D3O2
- SMILES
- CCCOC(=O)CCC
- 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 | 0.4995 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| I | [1122.00; 1122.00] |
|
|
| I | 1122.00 | NIST | |
| I | 1122.00 | NIST | |
| Tboil | 412.63 | K | Relay (1.0) Calculated Property |
| Tc | 595.48 | K | Relay (1.0) Calculated Property |
| Tfus | 186.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.84; 296.21] | J/mol×K | [417.98; 590.78] |
|
| Cp,gas | 233.84 | J/mol×K | 417.98 | Joback Calculated Property |
| Cp,gas | 245.23 | J/mol×K | 446.78 | Joback Calculated Property |
| Cp,gas | 256.22 | J/mol×K | 475.58 | Joback Calculated Property |
| Cp,gas | 266.81 | J/mol×K | 504.38 | Joback Calculated Property |
| Cp,gas | 277.01 | J/mol×K | 533.18 | Joback Calculated Property |
| Cp,gas | 286.80 | J/mol×K | 561.98 | Joback Calculated Property |
| Cp,gas | 296.21 | J/mol×K | 590.78 | Joback Calculated Property |
| η | [0.0002533; 0.0061560] | Pa×s | [210.98; 417.98] |
|
| η | 0.0061560 | Pa×s | 210.98 | Joback Calculated Property |
| η | 0.0024892 | Pa×s | 245.48 | Joback Calculated Property |
| η | 0.0012582 | Pa×s | 279.98 | Joback Calculated Property |
| η | 0.0007386 | Pa×s | 314.48 | Joback Calculated Property |
| η | 0.0004818 | Pa×s | 348.98 | Joback Calculated Property |
| η | 0.0003394 | Pa×s | 383.48 | Joback Calculated Property |
| η | 0.0002533 | Pa×s | 417.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl butanoate-d3.
Sources
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