- InChI
- InChI=1S/C15H26O/c1-10(2)9-14-11(3)5-6-13-12(4)7-8-15(13,14)16/h9,11-14,16H,5-8H2,1-4H3
- InChI Key
- QGALFKRHZSPTEG-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CC1C(C)CCC2C(C)CCC12O
- Molecular Weight1
- 222.37
- CAS
- 84014-68-6
- 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 | 0.4914 | Relay (... Calculated Property | |
| ΔfG° | 66.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -4.67 | Relay (... Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | [1552.00; 1556.80] |
|
|
| Inp | 1556.80 | NIST | |
| Inp | 1552.00 | NIST | |
| Tboil | 547.91 | K | Relay (... Calculated Property |
| Tc | 777.65 | K | Relay (... Calculated Property |
| Tfus | 333.78 | K | Relay (... Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.46; 705.99] | J/mol×K | [651.34; 854.93] |
|
| Cp,gas | 597.46 | J/mol×K | 651.34 | Joback Calculated Property |
| Cp,gas | 617.70 | J/mol×K | 685.27 | Joback Calculated Property |
| Cp,gas | 636.91 | J/mol×K | 719.20 | Joback Calculated Property |
| Cp,gas | 655.21 | J/mol×K | 753.14 | Joback Calculated Property |
| Cp,gas | 672.74 | J/mol×K | 787.07 | Joback Calculated Property |
| Cp,gas | 689.62 | J/mol×K | 821.00 | Joback Calculated Property |
| Cp,gas | 705.99 | J/mol×K | 854.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pacifigorgiol.
Sources
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