- InChI
- InChI=1S/C12H20O2/c1-2-3-5-8-11-9-6-4-7-10-12(13)14-11/h9H,2-8,10H2,1H3/b11-9-
- InChI Key
- KBMKBYARCSCTRK-LUAWRHEFSA-N
- Formula
- C12H20O2
- SMILES
- CCCCCC1=CCCCCC(=O)O1
- Molecular Weight1
- 196.29
- 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 | 0.5301 | Relay (... Calculated Property | |
| ΔfG° | -130.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.20 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -3.54 | Relay (... Calculated Property | |
| logPoct/wat | 3.568 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| I | [2398.00; 2398.00] |
|
|
| I | 2398.00 | NIST | |
| I | 2398.00 | NIST | |
| Tboil | 583.11 | K | Relay (... Calculated Property |
| Tc | 756.41 | K | Relay (... Calculated Property |
| Tfus | 276.08 | K | Relay (... Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.29; 554.51] | J/mol×K | [605.63; 827.95] |
|
| Cp,gas | 453.29 | J/mol×K | 605.63 | Joback Calculated Property |
| Cp,gas | 472.93 | J/mol×K | 642.68 | Joback Calculated Property |
| Cp,gas | 491.47 | J/mol×K | 679.74 | Joback Calculated Property |
| Cp,gas | 508.91 | J/mol×K | 716.79 | Joback Calculated Property |
| Cp,gas | 525.24 | J/mol×K | 753.84 | Joback Calculated Property |
| Cp,gas | 540.44 | J/mol×K | 790.89 | Joback Calculated Property |
| Cp,gas | 554.51 | J/mol×K | 827.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-6-Dodecene-7-lactone.
Sources
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