- InChI
- InChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3/b13-8+
- InChI Key
- TZCKNDPYYKEPHO-MDWZMJQESA-N
- Formula
- C15H26O2
- SMILES
- C=CC(C)(O)CCC=C(C)CC(O)C=C(C)C
- Molecular Weight1
- 238.37
- 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.
- 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 | 0.7652 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.367 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1905.24 | kPa | Joback Calculated Property |
| Inp | 1703.00 | NIST | |
| I | 2560.00 | NIST | |
| Tboil | 571.16 | K | Relay (1.0) Calculated Property |
| Tc | 750.26 | K | Relay (1.0) Calculated Property |
| Tfus | 315.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [639.10; 711.55] | J/mol×K | [728.05; 908.64] | 
|
| Cp,gas | 639.10 | J/mol×K | 728.05 | Joback Calculated Property |
| Cp,gas | 652.66 | J/mol×K | 758.15 | Joback Calculated Property |
| Cp,gas | 665.54 | J/mol×K | 788.25 | Joback Calculated Property |
| Cp,gas | 677.81 | J/mol×K | 818.34 | Joback Calculated Property |
| Cp,gas | 689.53 | J/mol×K | 848.44 | Joback Calculated Property |
| Cp,gas | 700.75 | J/mol×K | 878.54 | Joback Calculated Property |
| Cp,gas | 711.55 | J/mol×K | 908.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Hydroxynerolidol.
Sources
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