- InChI
- InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3
- InChI Key
- FRTMRFCNTDDSOB-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCC1CCCCC(=O)O1
- Molecular Weight1
- 198.30
- CAS
- 16429-21-3
- Other Names
-
- «epsilon»-Dodecalactone
- 7-Hexyl-2-oxepanone
- 6-Hexylhexan-6-olide
- 7-hexyloxepan-2-one
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -146.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| I | [2264.00; 2264.00] |
|
|
| I | 2264.00 | NIST | |
| I | 2264.00 | NIST | |
| Tboil | 592.55 | K | Joback Calculated Property |
| Tc | 804.62 | K | Joback Calculated Property |
| Tfus | 323.65 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.32; 579.96] | J/mol×K | [592.55; 804.62] |
|
| Cp,gas | 473.32 | J/mol×K | 592.55 | Joback Calculated Property |
| Cp,gas | 493.76 | J/mol×K | 627.90 | Joback Calculated Property |
| Cp,gas | 513.14 | J/mol×K | 663.24 | Joback Calculated Property |
| Cp,gas | 531.45 | J/mol×K | 698.59 | Joback Calculated Property |
| Cp,gas | 548.69 | J/mol×K | 733.93 | Joback Calculated Property |
| Cp,gas | 564.86 | J/mol×K | 769.28 | Joback Calculated Property |
| Cp,gas | 579.96 | J/mol×K | 804.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxepanone, 7-hexyl-.
Sources
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