- InChI
- InChI=1S/C17H30O/c1-6-17(5,13-14-18)12-8-11-16(4)10-7-9-15(2)3/h6,9,11,18H,1,7-8,10,12-14H2,2-5H3/b16-11+
- InChI Key
- CGYUIWUXBXZGIW-LFIBNONCSA-N
- Formula
- C17H30O
- SMILES
- C=CC(C)(CCO)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 250.42
- 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 | 0.7023 | Relay (... Calculated Property | |
| ΔfG° | 189.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -4.72 | Relay (... Calculated Property | |
| logPoct/wat | 5.034 | Crippen Calculated Property | |
| McVol | 243.360 | ml/mol | McGowan Calculated Property |
| Pc | 1498.83 | kPa | Joback Calculated Property |
| Inp | [1851.00; 1851.00] |
|
|
| Inp | 1851.00 | NIST | |
| Inp | 1851.00 | NIST | |
| I | [2462.00; 2462.00] |
|
|
| I | 2462.00 | NIST | |
| I | 2462.00 | NIST | |
| Tboil | 598.26 | K | Relay (... Calculated Property |
| Tc | 761.01 | K | Relay (... Calculated Property |
| Tfus | 261.59 | K | Relay (... Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.52; 771.82] | J/mol×K | [682.07; 861.54] |
|
| Cp,gas | 683.52 | J/mol×K | 682.07 | Joback Calculated Property |
| Cp,gas | 700.12 | J/mol×K | 711.98 | Joback Calculated Property |
| Cp,gas | 715.89 | J/mol×K | 741.89 | Joback Calculated Property |
| Cp,gas | 730.88 | J/mol×K | 771.81 | Joback Calculated Property |
| Cp,gas | 745.15 | J/mol×K | 801.72 | Joback Calculated Property |
| Cp,gas | 758.78 | J/mol×K | 831.63 | Joback Calculated Property |
| Cp,gas | 771.82 | J/mol×K | 861.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nerolidyl ethanol.
Sources
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