- InChI
- InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,7,11-12H,4-6,8H2,1-2H3/b10-7-
- InChI Key
- BMSVWDJXCKMWSV-YFHOEESVSA-N
- Formula
- C11H18O
- SMILES
- CC1=CCC(C(C)=CCO)CC1
- Molecular Weight1
- 166.26
- 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 | 0.5235 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.671 | Crippen Calculated Property | |
| McVol | 152.260 | ml/mol | McGowan Calculated Property |
| Pc | 2773.00 | kPa | Joback Calculated Property |
| Inp | 1255.00 | NIST | |
| Tboil | 534.01 | K | Relay (1.0) Calculated Property |
| Tc | 732.70 | K | Relay (1.0) Calculated Property |
| Tfus | 282.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.68; 460.55] | J/mol×K | [570.99; 768.68] | 
|
| Cp,gas | 379.68 | J/mol×K | 570.99 | Joback Calculated Property |
| Cp,gas | 395.15 | J/mol×K | 603.94 | Joback Calculated Property |
| Cp,gas | 409.77 | J/mol×K | 636.89 | Joback Calculated Property |
| Cp,gas | 423.59 | J/mol×K | 669.83 | Joback Calculated Property |
| Cp,gas | 436.63 | J/mol×K | 702.78 | Joback Calculated Property |
| Cp,gas | 448.94 | J/mol×K | 735.73 | Joback Calculated Property |
| Cp,gas | 460.55 | J/mol×K | 768.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citrol.
Sources
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