- InChI
- InChI=1S/C12H20O2/c1-8(2)6-10-11(12(10,4)5)7-14-9(3)13/h6,10-11H,7H2,1-5H3/t10-,11-/m0/s1
- InChI Key
- OTWVMTYIYNDIOQ-QWRGUYRKSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OCC1C(C=C(C)C)C1(C)C
- Molecular Weight1
- 196.29
- CAS
- 54999-63-2
- 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.
- 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 | 0.4257 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.788 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Inp | 1285.50 | NIST | |
| Tboil | 496.45 | K | Relay (1.0) Calculated Property |
| Tc | 691.11 | K | Relay (1.0) Calculated Property |
| Tfus | 260.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.84; 522.31] | J/mol×K | [551.93; 750.39] | 
|
| Cp,gas | 432.84 | J/mol×K | 551.93 | Joback Calculated Property |
| Cp,gas | 449.74 | J/mol×K | 585.01 | Joback Calculated Property |
| Cp,gas | 465.71 | J/mol×K | 618.08 | Joback Calculated Property |
| Cp,gas | 480.85 | J/mol×K | 651.16 | Joback Calculated Property |
| Cp,gas | 495.27 | J/mol×K | 684.24 | Joback Calculated Property |
| Cp,gas | 509.05 | J/mol×K | 717.31 | Joback Calculated Property |
| Cp,gas | 522.31 | J/mol×K | 750.39 | Joback Calculated Property |
Similar Compounds
Sources
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