- InChI
- InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-5,8-9H,2,6-7H2,1H3/b4-3-
- InChI Key
- VYPONAGZHAJHGT-ARJAWSKDSA-N
- Formula
- C10H14O2
- SMILES
- CCC=CCC1CC=CC(=O)O1
- Molecular Weight1
- 166.22
- 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 | 0.3841 | Relay (... Calculated Property | |
| ΔfG° | -40.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.50 | eV | Relay (... Calculated Property |
| log10WS | -2.71 | Relay (... Calculated Property | |
| logPoct/wat | 2.214 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Inp | 1440.00 | NIST | |
| I | 2320.00 | NIST | |
| Tboil | 531.52 | K | Relay (... Calculated Property |
| Tc | 700.78 | K | Relay (... Calculated Property |
| Tfus | 236.73 | K | Relay (... Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.90; 420.17] | J/mol×K | [545.84; 769.63] | 
|
| Cp,gas | 333.90 | J/mol×K | 545.84 | Joback Calculated Property |
| Cp,gas | 350.54 | J/mol×K | 583.14 | Joback Calculated Property |
| Cp,gas | 366.25 | J/mol×K | 620.44 | Joback Calculated Property |
| Cp,gas | 381.06 | J/mol×K | 657.74 | Joback Calculated Property |
| Cp,gas | 394.97 | J/mol×K | 695.03 | Joback Calculated Property |
| Cp,gas | 408.00 | J/mol×K | 732.33 | Joback Calculated Property |
| Cp,gas | 420.17 | J/mol×K | 769.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tuberolactone.
Sources
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