- InChI
- InChI=1S/C14H24O2/c1-13(2)11-5-3-4-10-6-7-12(9-15)14(10,8-11)16-13/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-,14-/m1/s1
- InChI Key
- YNRKDVOAXYELOW-JAGFSTOYSA-N
- Formula
- C14H24O2
- SMILES
- CC1(C)OC23CC1CCCC2CCC3CO
- Molecular Weight1
- 224.34
- 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° | -36.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 2.743 | Crippen Calculated Property | |
| McVol | 187.280 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [1776.00; 1776.00] |
|
|
| Inp | 1776.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Tboil | 663.02 | K | Joback Calculated Property |
| Tc | 876.96 | K | Joback Calculated Property |
| Tfus | 417.51 | K | Joback Calculated Property |
| Vc | 0.701 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.71; 687.54] | J/mol×K | [663.02; 876.96] |
|
| Cp,gas | 579.71 | J/mol×K | 663.02 | Joback Calculated Property |
| Cp,gas | 598.99 | J/mol×K | 698.68 | Joback Calculated Property |
| Cp,gas | 617.42 | J/mol×K | 734.33 | Joback Calculated Property |
| Cp,gas | 635.24 | J/mol×K | 769.99 | Joback Calculated Property |
| Cp,gas | 652.70 | J/mol×K | 805.65 | Joback Calculated Property |
| Cp,gas | 670.05 | J/mol×K | 841.30 | Joback Calculated Property |
| Cp,gas | 687.54 | J/mol×K | 876.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sinenofuranol.
Sources
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