- InChI
- InChI=1S/C14H24O2/c1-9-5-6-11-12(3,4)16-14(15)10(2)7-8-13(9,11)14/h9-11,15H,5-8H2,1-4H3/t9-,10-,11+,13+,14-/m1/s1
- InChI Key
- GRRIYLFQXHZWQR-SSYGJKRZSA-N
- Formula
- C14H24O2
- SMILES
- CC1CCC23C(C)CCC2C(C)(C)OC13O
- Molecular Weight1
- 224.34
- 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 | 0.5014 | Relay (1.0) Calculated Property | |
| ΔfG° | -37.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.946 | Crippen Calculated Property | |
| McVol | 187.280 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | [1448.00; 1448.00] |
|
|
| Inp | 1448.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Tboil | 527.09 | K | Relay (1.0) Calculated Property |
| Tc | 801.73 | K | Relay (1.0) Calculated Property |
| Tfus | 392.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.67; 685.06] | J/mol×K | [654.32; 869.18] |
|
| Cp,gas | 575.67 | J/mol×K | 654.32 | Joback Calculated Property |
| Cp,gas | 594.47 | J/mol×K | 690.13 | Joback Calculated Property |
| Cp,gas | 612.60 | J/mol×K | 725.94 | Joback Calculated Property |
| Cp,gas | 630.39 | J/mol×K | 761.75 | Joback Calculated Property |
| Cp,gas | 648.18 | J/mol×K | 797.56 | Joback Calculated Property |
| Cp,gas | 666.29 | J/mol×K | 833.37 | Joback Calculated Property |
| Cp,gas | 685.06 | J/mol×K | 869.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bakerol.
Sources
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