- InChI
- InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2
- InChI Key
- MVOSYKNQRRHGKX-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- O=C1CCCCCCCCCCO1
- Molecular Weight1
- 184.28
- CAS
- 1725-03-7
- Other Names
-
- 11-Hydroxyundecanoic acid, lactone
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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° | -207.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -583.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 9.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [66.00; 66.20] | kJ/mol |
|
| ΔvapH° | 66.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 66.00 | kJ/mol | NIST |
| ΔvapH° | 66.20 ± 1.30 | kJ/mol | NIST |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 3.054 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Tboil | 595.69 | K | Joback Calculated Property |
| Tc | 853.10 | K | Joback Calculated Property |
| Tfus | 299.02 | K | Joback Calculated Property |
| Ttriple | 275.33 ± 0.01 | K | NIST |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.95; 554.30] | J/mol×K | [595.69; 853.10] |
|
| Cp,gas | 428.95 | J/mol×K | 595.69 | Joback Calculated Property |
| Cp,gas | 454.21 | J/mol×K | 638.59 | Joback Calculated Property |
| Cp,gas | 477.81 | J/mol×K | 681.49 | Joback Calculated Property |
| Cp,gas | 499.69 | J/mol×K | 724.40 | Joback Calculated Property |
| Cp,gas | 519.77 | J/mol×K | 767.30 | Joback Calculated Property |
| Cp,gas | 538.00 | J/mol×K | 810.20 | Joback Calculated Property |
| Cp,gas | 554.30 | J/mol×K | 853.10 | Joback Calculated Property |
| ΔfusH | 12.61 | kJ/mol | 275.30 | NIST |
| ΔvapH | [57.70; 70.50] | kJ/mol | [376.00; 383.00] |
|
| ΔvapH | 57.70 ± 0.80 | kJ/mol | 376.00 | NIST |
| ΔvapH | 70.50 | kJ/mol | 383.00 | NIST |
Similar Compounds
Find more compounds similar to Oxacyclododecan-2-one.
Sources
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