- InChI
- InChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3
- InChI Key
- NFNWPPOMMYDNFQ-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- CC1CCCCCCCCCCC(=O)OC1
- Molecular Weight1
- 226.36
- Other Names
-
- 12-Methyltridecano-13-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).
- 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.
- 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 | 0.3687 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.080 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | [1681.00; 1692.00] |
|
|
| Inp | 1681.00 | NIST | |
| Inp | 1692.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1692.00 | NIST | |
| I | [2056.00; 2067.00] |
|
|
| I | 2056.00 | NIST | |
| I | 2067.00 | NIST | |
| I | 2056.00 | NIST | |
| I | 2067.00 | NIST | |
| Tboil | 640.92 | K | Relay (1.0) Calculated Property |
| Tc | 820.26 | K | Relay (1.0) Calculated Property |
| Tfus | 286.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.26; 737.41] | J/mol×K | [668.20; 925.56] |
|
| Cp,gas | 601.26 | J/mol×K | 668.20 | Joback Calculated Property |
| Cp,gas | 629.85 | J/mol×K | 711.09 | Joback Calculated Property |
| Cp,gas | 656.21 | J/mol×K | 753.99 | Joback Calculated Property |
| Cp,gas | 680.23 | J/mol×K | 796.88 | Joback Calculated Property |
| Cp,gas | 701.84 | J/mol×K | 839.77 | Joback Calculated Property |
| Cp,gas | 720.93 | J/mol×K | 882.67 | Joback Calculated Property |
| Cp,gas | 737.41 | J/mol×K | 925.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxacyclotetradecan-2-one, 13-methyl-.
Sources
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