- InChI
- InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h9-13,16H,5-8H2,1-4H3/t10?,11?,12-,13+/m0/s1
- InChI Key
- JSCBEOXFGCAOKV-IFWUJCSASA-N
- Formula
- C15H26O
- SMILES
- CC1CCC2C1=CC(C(C)(C)O)CCC2C
- Molecular Weight1
- 222.37
- Other Names
-
- 5-Guaien-11-ol
- guaia-5-en-11-ol
- ω : Acentric Factor.
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.5411 | Relay (1.0) Calculated Property | |
| ΔfG° | 19.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1637.00] |
|
|
| Inp | 1631.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1595.00 | NIST | |
| I | 2101.00 | NIST | |
| Tboil | 556.46 | K | Relay (1.0) Calculated Property |
| Tc | 785.14 | K | Relay (1.0) Calculated Property |
| Tfus | 368.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.716 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.31; 708.40] | J/mol×K | [656.91; 862.03] |
|
| Cp,gas | 603.31 | J/mol×K | 656.91 | Joback Calculated Property |
| Cp,gas | 623.77 | J/mol×K | 691.10 | Joback Calculated Property |
| Cp,gas | 642.97 | J/mol×K | 725.28 | Joback Calculated Property |
| Cp,gas | 660.98 | J/mol×K | 759.47 | Joback Calculated Property |
| Cp,gas | 677.85 | J/mol×K | 793.66 | Joback Calculated Property |
| Cp,gas | 693.63 | J/mol×K | 827.84 | Joback Calculated Property |
| Cp,gas | 708.40 | J/mol×K | 862.03 | Joback Calculated Property |
| η | [0.0001181; 0.0055621] | Pa×s | [348.65; 656.91] |
|
| η | 0.0055621 | Pa×s | 348.65 | Joback Calculated Property |
| η | 0.0019378 | Pa×s | 400.03 | Joback Calculated Property |
| η | 0.0008583 | Pa×s | 451.40 | Joback Calculated Property |
| η | 0.0004490 | Pa×s | 502.78 | Joback Calculated Property |
| η | 0.0002648 | Pa×s | 554.16 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 605.53 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 656.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Guaiene-11-ol.
Sources
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