- InChI
- InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10?,11-,12?,13?,15?/m0/s1
- InChI Key
- QRVMFXFSGYDNJI-LDJXKFRGSA-N
- Formula
- C15H26O
- SMILES
- CC1CCC2C1CC1CCC2(C)OC1(C)C
- Molecular Weight1
- 222.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 101.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 4.016 | Crippen Calculated Property | |
| McVol | 195.500 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | [1509.00; 1509.00] |
|
|
| Inp | 1509.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Tboil | 589.05 | K | Joback Calculated Property |
| Tc | 816.69 | K | Joback Calculated Property |
| Tfus | 363.72 | K | Joback Calculated Property |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.58; 692.75] | J/mol×K | [589.05; 816.69] |
|
| Cp,gas | 561.58 | J/mol×K | 589.05 | Joback Calculated Property |
| Cp,gas | 586.42 | J/mol×K | 626.99 | Joback Calculated Property |
| Cp,gas | 609.68 | J/mol×K | 664.93 | Joback Calculated Property |
| Cp,gas | 631.66 | J/mol×K | 702.87 | Joback Calculated Property |
| Cp,gas | 652.64 | J/mol×K | 740.81 | Joback Calculated Property |
| Cp,gas | 672.91 | J/mol×K | 778.75 | Joback Calculated Property |
| Cp,gas | 692.75 | J/mol×K | 816.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isokessane.
Sources
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