- InChI
- InChI=1S/C14H24O/c1-9-5-6-12-11(9)7-10-8-14(12,4)15-13(10,2)3/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-,14-/m0/s1
- InChI Key
- WBHXSKHCVPVDDZ-JNLQPACOSA-N
- Formula
- C14H24O
- SMILES
- CC1CCC2C1CC1CC2(C)OC1(C)C
- Molecular Weight1
- 208.34
- 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 | 0.3822 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.626 | Crippen Calculated Property | |
| McVol | 181.410 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 519.31 | K | Relay (1.0) Calculated Property |
| Tc | 758.14 | K | Relay (1.0) Calculated Property |
| Tfus | 302.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.44; 629.26] | J/mol×K | [561.90; 785.89] |
|
| Cp,gas | 506.44 | J/mol×K | 561.90 | Joback Calculated Property |
| Cp,gas | 530.02 | J/mol×K | 599.23 | Joback Calculated Property |
| Cp,gas | 551.98 | J/mol×K | 636.56 | Joback Calculated Property |
| Cp,gas | 572.60 | J/mol×K | 673.90 | Joback Calculated Property |
| Cp,gas | 592.17 | J/mol×K | 711.23 | Joback Calculated Property |
| Cp,gas | 610.96 | J/mol×K | 748.56 | Joback Calculated Property |
| Cp,gas | 629.26 | J/mol×K | 785.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Kessane.
Sources
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