- 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
-
- 6-Hexylhexan-6-olide
- 7-Hexyl-2-oxepanone
- 7-hexyloxepan-2-one
- «epsilon»-Dodecalactone
- 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 | 0.5706 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| I | [2264.00; 2264.00] |
|
|
| I | 2264.00 | NIST | |
| I | 2264.00 | NIST | |
| Tboil | 591.24 | K | Relay (1.0) Calculated Property |
| Tc | 766.13 | K | Relay (1.0) Calculated Property |
| Tfus | 257.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.68; 543.23] | J/mol×K | [547.66; 738.14] |
|
| Cp,gas | 445.68 | J/mol×K | 547.66 | Joback Calculated Property |
| Cp,gas | 464.20 | J/mol×K | 579.41 | Joback Calculated Property |
| Cp,gas | 481.79 | J/mol×K | 611.15 | Joback Calculated Property |
| Cp,gas | 498.46 | J/mol×K | 642.90 | Joback Calculated Property |
| Cp,gas | 514.25 | J/mol×K | 674.64 | Joback Calculated Property |
| Cp,gas | 529.16 | J/mol×K | 706.39 | Joback Calculated Property |
| Cp,gas | 543.23 | J/mol×K | 738.14 | Joback Calculated Property |
| η | [0.0002354; 0.0051136] | Pa×s | [278.23; 547.66] |
|
| η | 0.0051136 | Pa×s | 278.23 | Joback Calculated Property |
| η | 0.0021433 | Pa×s | 323.13 | Joback Calculated Property |
| η | 0.0011107 | Pa×s | 368.04 | Joback Calculated Property |
| η | 0.0006640 | Pa×s | 412.94 | Joback Calculated Property |
| η | 0.0004391 | Pa×s | 457.85 | Joback Calculated Property |
| η | 0.0003127 | Pa×s | 502.75 | Joback Calculated Property |
| η | 0.0002354 | Pa×s | 547.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxepanone, 7-hexyl-.
Sources
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