- InChI
- InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i1D3,3D2,5D2,6D2,7D2,8D2,9D2
- InChI Key
- YYZUSRORWSJGET-MVIIYOROSA-N
- Formula
- C10H5D15O2
- SMILES
- CCCCCCCC(=O)OCC
- Molecular Weight1
- 187.36
- 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 | 0.6055 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.910 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| I | [1423.00; 1423.00] |
|
|
| I | 1423.00 | NIST | |
| I | 1423.00 | NIST | |
| Tboil | 469.27 | K | Relay (1.0) Calculated Property |
| Tc | 650.73 | K | Relay (1.0) Calculated Property |
| Tfus | 233.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.618 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.11; 445.25] | J/mol×K | [504.49; 676.79] |
|
| Cp,gas | 368.11 | J/mol×K | 504.49 | Joback Calculated Property |
| Cp,gas | 382.26 | J/mol×K | 533.21 | Joback Calculated Property |
| Cp,gas | 395.89 | J/mol×K | 561.92 | Joback Calculated Property |
| Cp,gas | 409.00 | J/mol×K | 590.64 | Joback Calculated Property |
| Cp,gas | 421.59 | J/mol×K | 619.36 | Joback Calculated Property |
| Cp,gas | 433.67 | J/mol×K | 648.08 | Joback Calculated Property |
| Cp,gas | 445.25 | J/mol×K | 676.79 | Joback Calculated Property |
| η | [0.0002230; 0.0032806] | Pa×s | [274.62; 504.49] |
|
| η | 0.0032806 | Pa×s | 274.62 | Joback Calculated Property |
| η | 0.0015931 | Pa×s | 312.93 | Joback Calculated Property |
| η | 0.0009057 | Pa×s | 351.24 | Joback Calculated Property |
| η | 0.0005753 | Pa×s | 389.56 | Joback Calculated Property |
| η | 0.0003964 | Pa×s | 427.87 | Joback Calculated Property |
| η | 0.0002904 | Pa×s | 466.18 | Joback Calculated Property |
| η | 0.0002230 | Pa×s | 504.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl octanoate-d15.
Sources
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