- InChI
- InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13?,14-,15+/m0/s1
- InChI Key
- CZFHAODYOVXPIQ-AVOUXACISA-N
- Formula
- C15H24O
- SMILES
- C=C(C)C1CCC2(C)CCC(O)C(=C)C2C1
- Molecular Weight1
- 220.35
- 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° | 123.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.98 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | [1590.00; 1593.00] |
|
|
| Inp | 1590.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Tboil | 651.96 | K | Joback Calculated Property |
| Tc | 859.17 | K | Joback Calculated Property |
| Tfus | 354.81 | K | Joback Calculated Property |
| Vc | 0.739 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.06; 677.55] | J/mol×K | [651.96; 859.17] |
|
| Cp,gas | 573.06 | J/mol×K | 651.96 | Joback Calculated Property |
| Cp,gas | 592.62 | J/mol×K | 686.50 | Joback Calculated Property |
| Cp,gas | 611.16 | J/mol×K | 721.03 | Joback Calculated Property |
| Cp,gas | 628.80 | J/mol×K | 755.57 | Joback Calculated Property |
| Cp,gas | 645.67 | J/mol×K | 790.10 | Joback Calculated Property |
| Cp,gas | 661.88 | J/mol×K | 824.64 | Joback Calculated Property |
| Cp,gas | 677.55 | J/mol×K | 859.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isocyperol.
Sources
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