- InChI
- InChI=1S/C12H22O2/c1-3-5-6-7-9-12(4-2)10-8-11(13)14-12/h3-10H2,1-2H3
- InChI Key
- ZYGXMFVFBKWHGI-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCC1(CC)CCC(=O)O1
- Molecular Weight1
- 198.30
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5830 | Relay (1.0) Calculated Property | |
| ΔfG° | -127.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1567.00; 1567.00] |
|
|
| Inp | 1567.00 | NIST | |
| Inp | 1567.00 | NIST | |
| I | [2160.00; 2160.00] |
|
|
| I | 2160.00 | NIST | |
| I | 2160.00 | NIST | |
| Tboil | 569.78 | K | Relay (1.0) Calculated Property |
| Tc | 741.00 | K | Relay (1.0) Calculated Property |
| Tfus | 248.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.27; 566.12] | J/mol×K | [584.25; 790.33] |
|
| Cp,gas | 468.27 | J/mol×K | 584.25 | Joback Calculated Property |
| Cp,gas | 486.58 | J/mol×K | 618.60 | Joback Calculated Property |
| Cp,gas | 503.97 | J/mol×K | 652.94 | Joback Calculated Property |
| Cp,gas | 520.54 | J/mol×K | 687.29 | Joback Calculated Property |
| Cp,gas | 536.36 | J/mol×K | 721.64 | Joback Calculated Property |
| Cp,gas | 551.53 | J/mol×K | 755.99 | Joback Calculated Property |
| Cp,gas | 566.12 | J/mol×K | 790.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethyl-4-decanolide.
Sources
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