- 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° | -277.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.60 | 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 | 2117.78 | 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 | 655.55 | K | Relay (1.0) Calculated Property |
| Tfus | 231.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.76; 440.14] | J/mol×K | [486.62; 656.01] |
|
| Cp,gas | 361.76 | J/mol×K | 486.62 | Joback Calculated Property |
| Cp,gas | 376.18 | J/mol×K | 514.85 | Joback Calculated Property |
| Cp,gas | 390.06 | J/mol×K | 543.08 | Joback Calculated Property |
| Cp,gas | 403.38 | J/mol×K | 571.32 | Joback Calculated Property |
| Cp,gas | 416.17 | J/mol×K | 599.55 | Joback Calculated Property |
| Cp,gas | 428.42 | J/mol×K | 627.78 | Joback Calculated Property |
| Cp,gas | 440.14 | J/mol×K | 656.01 | Joback Calculated Property |
| η | [0.0002084; 0.0058393] | Pa×s | [244.79; 486.62] |
|
| η | 0.0058393 | Pa×s | 244.79 | Joback Calculated Property |
| η | 0.0022625 | Pa×s | 285.10 | Joback Calculated Property |
| η | 0.0011087 | Pa×s | 325.40 | Joback Calculated Property |
| η | 0.0006358 | Pa×s | 365.70 | Joback Calculated Property |
| η | 0.0004072 | Pa×s | 406.01 | Joback Calculated Property |
| η | 0.0002826 | Pa×s | 446.31 | Joback Calculated Property |
| η | 0.0002084 | Pa×s | 486.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl octanoate-d15.
Sources
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