- InChI
- InChI=1S/C15H26O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,11,13-14,16H,1,7-8,10H2,2-5H3/t13?,14-,15-/m0/s1
- InChI Key
- YDECUWOATDRFNP-FGRDXJNISA-N
- Formula
- C15H26O
- SMILES
- C=CC(C)(O)CC1C=C(C)CCC1C(C)C
- Molecular Weight1
- 222.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : 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° | 63.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.942 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| Inp | 1522.00 | NIST | |
| I | [2032.00; 2032.00] |
|
|
| I | 2032.00 | NIST | |
| I | 2032.00 | NIST | |
| Tboil | 646.81 | K | Joback Calculated Property |
| Tc | 841.23 | K | Joback Calculated Property |
| Tfus | 321.71 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.43; 686.70] | J/mol×K | [646.81; 841.23] |
|
| Cp,gas | 590.43 | J/mol×K | 646.81 | Joback Calculated Property |
| Cp,gas | 608.97 | J/mol×K | 679.21 | Joback Calculated Property |
| Cp,gas | 626.45 | J/mol×K | 711.62 | Joback Calculated Property |
| Cp,gas | 642.92 | J/mol×K | 744.02 | Joback Calculated Property |
| Cp,gas | 658.42 | J/mol×K | 776.42 | Joback Calculated Property |
| Cp,gas | 673.00 | J/mol×K | 808.82 | Joback Calculated Property |
| Cp,gas | 686.70 | J/mol×K | 841.23 | Joback Calculated Property |
| η | [0.0000519; 0.0102738] | Pa×s | [321.71; 646.81] |
|
| η | 0.0102738 | Pa×s | 321.71 | Joback Calculated Property |
| η | 0.0022543 | Pa×s | 375.89 | Joback Calculated Property |
| η | 0.0007249 | Pa×s | 430.08 | Joback Calculated Property |
| η | 0.0003005 | Pa×s | 484.26 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 538.44 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 592.63 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 646.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isohumbertiol B.
Sources
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