- InChI
- InChI=1S/C14H24O3/c1-12-10-13(15)8-6-4-2-3-5-7-9-14(16)17-11-12/h12H,2-11H2,1H3
- InChI Key
- UXFNPDNBDMXQNY-UHFFFAOYSA-N
- Formula
- C14H24O3
- SMILES
- CC1COC(=O)CCCCCCCCC(=O)C1
- Molecular Weight1
- 240.34
- CAS
- 74685-36-2
- Other Names
-
- 13-Methyloxacyclotetradecane-2,11-dione
- 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.
- 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 | 0.4572 | Relay (... Calculated Property | |
| ΔfG° | -336.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.77 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -2.69 | Relay (... Calculated Property | |
| logPoct/wat | 3.259 | Crippen Calculated Property | |
| McVol | 206.270 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2140.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Tboil | 650.41 | K | Relay (... Calculated Property |
| Tc | 836.98 | K | Relay (... Calculated Property |
| Tfus | 339.34 | K | Relay (... Calculated Property |
| Vc | 0.664 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.13; 759.61] | J/mol×K | [736.02; 1004.20] |
|
| Cp,gas | 645.13 | J/mol×K | 736.02 | Joback Calculated Property |
| Cp,gas | 671.44 | J/mol×K | 780.72 | Joback Calculated Property |
| Cp,gas | 695.09 | J/mol×K | 825.41 | Joback Calculated Property |
| Cp,gas | 715.89 | J/mol×K | 870.11 | Joback Calculated Property |
| Cp,gas | 733.69 | J/mol×K | 914.81 | Joback Calculated Property |
| Cp,gas | 748.31 | J/mol×K | 959.51 | Joback Calculated Property |
| Cp,gas | 759.61 | J/mol×K | 1004.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxacyclotetradecane-2,11-dione, 13-methyl-.
Sources
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