- InChI
- InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
- InChI Key
- LOKPJYNMYCVCRM-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- O=C1CCCCCCCCCCCCCCCO1
- Molecular Weight1
- 254.41
- CAS
- 109-29-5
- Other Names
-
- Cyclohexadecanolide
- Dihydroambrettolide
- Hexadecanoic acid, 16-hydroxy-, «omicron»-lactone
- Hexadecanolide
- Juniperic acid lactone
- 1,16-Hexadecanolide
- 16-Hexadecanolactone
- 16-Hexadecanolide
- 1,16-Hexadecanolactone
- 16-Hydroxyhexadecanoic acid lactone
- Hexadecano-16-lactone
- NSC 33546
- Oxa-2-cycloheptadecanone
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -225.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 5.005 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 2038.23 | kPa | Joback Calculated Property |
| Inp | [1912.00; 1942.00] |
|
|
| Inp | 1928.00 | NIST | |
| Inp | 1912.00 | NIST | |
| Inp | 1932.00 | NIST | |
| Inp | 1933.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Inp | 1912.00 | NIST | |
| I | [2334.00; 2367.00] |
|
|
| I | 2334.00 | NIST | |
| I | 2367.00 | NIST | |
| Tboil | 731.44 | K | Joback Calculated Property |
| Tc | 1001.71 | K | Joback Calculated Property |
| Tfus | 337.77 | K | Joback Calculated Property |
| Vc | 0.805 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.67; 861.87] | J/mol×K | [731.44; 1001.71] |
|
| Cp,gas | 728.67 | J/mol×K | 731.44 | Joback Calculated Property |
| Cp,gas | 758.99 | J/mol×K | 776.48 | Joback Calculated Property |
| Cp,gas | 786.24 | J/mol×K | 821.53 | Joback Calculated Property |
| Cp,gas | 810.28 | J/mol×K | 866.57 | Joback Calculated Property |
| Cp,gas | 830.98 | J/mol×K | 911.62 | Joback Calculated Property |
| Cp,gas | 848.22 | J/mol×K | 956.66 | Joback Calculated Property |
| Cp,gas | 861.87 | J/mol×K | 1001.71 | Joback Calculated Property |
| ΔvapH | 71.60 | kJ/mol | 433.00 | NIST |
Similar Compounds
Find more compounds similar to Oxacycloheptadecan-2-one.
Sources
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