- InChI
- InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3/i1D3
- InChI Key
- GOKKOFHHJFGZHW-FIBGUPNXSA-N
- Formula
- C9H15D3O2
- SMILES
- CCCCCCOC(=O)CC
- 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 | 0.5774 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| I | [1334.00; 1334.00] |
|
|
| I | 1334.00 | NIST | |
| I | 1334.00 | NIST | |
| Tboil | 454.45 | K | Relay (1.0) Calculated Property |
| Tc | 639.68 | K | Relay (1.0) Calculated Property |
| Tfus | 212.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.02; 390.68] | J/mol×K | [463.74; 634.33] |
|
| Cp,gas | 317.02 | J/mol×K | 463.74 | Joback Calculated Property |
| Cp,gas | 330.55 | J/mol×K | 492.17 | Joback Calculated Property |
| Cp,gas | 343.57 | J/mol×K | 520.60 | Joback Calculated Property |
| Cp,gas | 356.09 | J/mol×K | 549.03 | Joback Calculated Property |
| Cp,gas | 368.11 | J/mol×K | 577.46 | Joback Calculated Property |
| Cp,gas | 379.64 | J/mol×K | 605.90 | Joback Calculated Property |
| Cp,gas | 390.68 | J/mol×K | 634.33 | Joback Calculated Property |
| η | [0.0002252; 0.0060445] | Pa×s | [233.52; 463.74] |
|
| η | 0.0060445 | Pa×s | 233.52 | Joback Calculated Property |
| η | 0.0023724 | Pa×s | 271.89 | Joback Calculated Property |
| η | 0.0011735 | Pa×s | 310.26 | Joback Calculated Property |
| η | 0.0006777 | Pa×s | 348.63 | Joback Calculated Property |
| η | 0.0004364 | Pa×s | 387.00 | Joback Calculated Property |
| η | 0.0003043 | Pa×s | 425.37 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 463.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexyl-d3 proprionate.
Sources
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