- InChI
- InChI=1S/C12H20O2/c1-9-6-5-7-12(3,4)11(9)8-14-10(2)13/h5-8H2,1-4H3
- InChI Key
- FTIUTTJEFHWCSA-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OCC1=C(C)CCCC1(C)C
- 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).
- 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 | 0.4040 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Inp | 1471.00 | NIST | |
| Tboil | 508.84 | K | Relay (1.0) Calculated Property |
| Tc | 704.54 | K | Relay (1.0) Calculated Property |
| Tfus | 266.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.72; 525.76] | J/mol×K | [579.16; 790.19] | 
|
| Cp,gas | 433.72 | J/mol×K | 579.16 | Joback Calculated Property |
| Cp,gas | 450.99 | J/mol×K | 614.33 | Joback Calculated Property |
| Cp,gas | 467.37 | J/mol×K | 649.50 | Joback Calculated Property |
| Cp,gas | 482.95 | J/mol×K | 684.67 | Joback Calculated Property |
| Cp,gas | 497.82 | J/mol×K | 719.85 | Joback Calculated Property |
| Cp,gas | 512.06 | J/mol×K | 755.02 | Joback Calculated Property |
| Cp,gas | 525.76 | J/mol×K | 790.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Cyclogeraniol, acetate.
Sources
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