- InChI
- InChI=1S/C8H14O2/c9-8-6-4-2-1-3-5-7-10-8/h1-7H2
- InChI Key
- ZYDGQQTXLBNSGJ-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- O=C1CCCCCCCO1
- Molecular Weight1
- 142.20
- CAS
- 5698-29-3
- Other Names
-
- «eta»-Caprylolactone
- Octanoic acid, 8-hydroxy-, «eta»-lactone
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.3407 | Relay (... Calculated Property | |
| ΔfG° | -196.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -487.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 8.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [52.80; 53.00] | kJ/mol |
|
| ΔvapH° | 53.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 53.00 | kJ/mol | NIST |
| ΔvapH° | 52.80 ± 1.30 | kJ/mol | NIST |
| IE | 9.71 | eV | Relay (... Calculated Property |
| log10WS | -1.46 | Relay (... Calculated Property | |
| logPoct/wat | 1.884 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Tboil | 541.15 | K | Relay (... Calculated Property |
| Tc | 753.03 | K | Relay (... Calculated Property |
| Tfus | 287.39 | K | Relay (... Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.72; 377.40] | J/mol×K | [514.24; 759.92] |
|
| Cp,gas | 276.72 | J/mol×K | 514.24 | Joback Calculated Property |
| Cp,gas | 296.14 | J/mol×K | 555.19 | Joback Calculated Property |
| Cp,gas | 314.55 | J/mol×K | 596.13 | Joback Calculated Property |
| Cp,gas | 331.92 | J/mol×K | 637.08 | Joback Calculated Property |
| Cp,gas | 348.21 | J/mol×K | 678.02 | Joback Calculated Property |
| Cp,gas | 363.38 | J/mol×K | 718.97 | Joback Calculated Property |
| Cp,gas | 377.40 | J/mol×K | 759.92 | Joback Calculated Property |
| ΔvapH | 48.90 ± 0.20 | kJ/mol | 362.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Oxonanone.
Sources
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