- InChI
- InChI=1S/C16H28O/c1-15(2)8-5-9-16(3)12-7-6-11(14(12)15)13(16)10-17-4/h11-14H,5-10H2,1-4H3
- InChI Key
- GDVBDGSQRFXTGJ-UHFFFAOYSA-N
- Formula
- C16H28O
- SMILES
- COCC1C2CCC3C2C(C)(C)CCCC13C
- Molecular Weight1
- 236.39
- 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° | 102.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 4.121 | Crippen Calculated Property | |
| McVol | 209.590 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [1671.70; 1671.70] |
|
|
| Inp | 1671.70 | NIST | |
| Inp | 1671.70 | NIST | |
| Tboil | 603.13 | K | Joback Calculated Property |
| Tc | 818.80 | K | Joback Calculated Property |
| Tfus | 374.17 | K | Joback Calculated Property |
| Vc | 0.797 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [607.88; 737.75] | J/mol×K | [603.13; 818.80] |
|
| Cp,gas | 607.88 | J/mol×K | 603.13 | Joback Calculated Property |
| Cp,gas | 632.12 | J/mol×K | 639.07 | Joback Calculated Property |
| Cp,gas | 654.99 | J/mol×K | 675.02 | Joback Calculated Property |
| Cp,gas | 676.75 | J/mol×K | 710.96 | Joback Calculated Property |
| Cp,gas | 697.63 | J/mol×K | 746.91 | Joback Calculated Property |
| Cp,gas | 717.89 | J/mol×K | 782.85 | Joback Calculated Property |
| Cp,gas | 737.75 | J/mol×K | 818.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Isolongifolol, methyl ether.
Sources
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