- InChI
- InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3/i1D3
- InChI Key
- HTUIWRWYYVBCFT-FIBGUPNXSA-N
- Formula
- C9H15D3O2
- SMILES
- CCCCCC(=O)OCCC
- Molecular Weight1
- 161.26
- 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 | 0.5788 | Relay (... Calculated Property | |
| ΔfG° | -209.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.68 | eV | Relay (... Calculated Property |
| log10WS | -2.65 | Relay (... Calculated Property | |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| I | 1312.00 | NIST | |
| Tboil | 453.68 | K | Relay (... Calculated Property |
| Tc | 633.05 | K | Relay (... Calculated Property |
| Tfus | 210.19 | K | Relay (... Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.89; 395.29] | J/mol×K | [481.61; 655.29] | 
|
| Cp,gas | 322.89 | J/mol×K | 481.61 | Joback Calculated Property |
| Cp,gas | 336.15 | J/mol×K | 510.56 | Joback Calculated Property |
| Cp,gas | 348.92 | J/mol×K | 539.50 | Joback Calculated Property |
| Cp,gas | 361.21 | J/mol×K | 568.45 | Joback Calculated Property |
| Cp,gas | 373.04 | J/mol×K | 597.40 | Joback Calculated Property |
| Cp,gas | 384.40 | J/mol×K | 626.35 | Joback Calculated Property |
| Cp,gas | 395.29 | J/mol×K | 655.29 | Joback Calculated Property |
| η | [0.0002395; 0.0033103] | Pa×s | [263.35; 481.61] |
|
| η | 0.0033103 | Pa×s | 263.35 | Joback Calculated Property |
| η | 0.0016384 | Pa×s | 299.73 | Joback Calculated Property |
| η | 0.0009442 | Pa×s | 336.10 | Joback Calculated Property |
| η | 0.0006060 | Pa×s | 372.48 | Joback Calculated Property |
| η | 0.0004209 | Pa×s | 408.86 | Joback Calculated Property |
| η | 0.0003103 | Pa×s | 445.23 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 481.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl hexanoate-d3.
Sources
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