- InChI
- InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(17)18-15/h15H,2-14H2,1H3
- InChI Key
- JDBCCUBGERLOBZ-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCCCC1CCCCC(=O)O1
- Molecular Weight1
- 254.41
- 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).
- 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 | 0.7242 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| I | [2903.00; 2903.00] |
|
|
| I | 2903.00 | NIST | |
| I | 2903.00 | NIST | |
| Tboil | 629.98 | K | Relay (1.0) Calculated Property |
| Tc | 807.26 | K | Relay (1.0) Calculated Property |
| Tfus | 295.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.871 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.78; 805.19] | J/mol×K | [684.07; 884.29] |
|
| Cp,gas | 693.78 | J/mol×K | 684.07 | Joback Calculated Property |
| Cp,gas | 715.34 | J/mol×K | 717.44 | Joback Calculated Property |
| Cp,gas | 735.70 | J/mol×K | 750.81 | Joback Calculated Property |
| Cp,gas | 754.86 | J/mol×K | 784.18 | Joback Calculated Property |
| Cp,gas | 772.82 | J/mol×K | 817.55 | Joback Calculated Property |
| Cp,gas | 789.59 | J/mol×K | 850.92 | Joback Calculated Property |
| Cp,gas | 805.19 | J/mol×K | 884.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-heptadecalactone.
Sources
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