- InChI
- InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12(16)14(4)7-8-15(10,11)9-14/h10-12,16H,5-9H2,1-4H3/t10-,11?,12+,14+,15-/m0/s1
- InChI Key
- UQKRCCOELQIGCU-LXHWASOTSA-N
- Formula
- C15H26O
- SMILES
- CC1CCC2C(C)(C)C(O)C3(C)CCC12C3
- Molecular Weight1
- 222.37
- 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 | 0.4802 | Relay (... Calculated Property | |
| ΔfG° | 57.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.31 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -4.36 | Relay (... Calculated Property | |
| logPoct/wat | 3.610 | Crippen Calculated Property | |
| McVol | 195.500 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | [1592.00; 1630.00] |
|
|
| Inp | 1600.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1605.00 | NIST | |
| I | [2110.00; 2113.00] |
|
|
| I | 2113.00 | NIST | |
| I | 2110.00 | NIST | |
| I | 2113.00 | NIST | |
| Tboil | 541.82 | K | Relay (... Calculated Property |
| Tc | 809.41 | K | Relay (... Calculated Property |
| Tfus | 375.48 | K | Relay (... Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.75; 710.84] | J/mol×K | [650.25; 863.66] |
|
| Cp,gas | 595.75 | J/mol×K | 650.25 | Joback Calculated Property |
| Cp,gas | 615.74 | J/mol×K | 685.82 | Joback Calculated Property |
| Cp,gas | 634.97 | J/mol×K | 721.39 | Joback Calculated Property |
| Cp,gas | 653.76 | J/mol×K | 756.96 | Joback Calculated Property |
| Cp,gas | 672.45 | J/mol×K | 792.52 | Joback Calculated Property |
| Cp,gas | 691.37 | J/mol×K | 828.09 | Joback Calculated Property |
| Cp,gas | 710.84 | J/mol×K | 863.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sesquithuriferol.
Sources
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