- InChI
- InChI=1S/C16H28O/c1-12(2)15-9-6-13(3)7-11-16(17-5)14(4)8-10-15/h6,9,12,14-16H,3,7-8,10-11H2,1-2,4-5H3/b9-6+/t14?,15-,16?/m1/s1
- InChI Key
- KCOVYKLMLVCCRK-IMUFZNECSA-N
- Formula
- C16H28O
- SMILES
- C=C1C=CC(C(C)C)CCC(C)C(OC)CC1
- Molecular Weight1
- 236.39
- 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 | 0.3634 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.596 | Crippen Calculated Property | |
| McVol | 222.710 | ml/mol | McGowan Calculated Property |
| Pc | 1640.43 | kPa | Joback Calculated Property |
| Inp | 1700.00 | NIST | |
| I | [2042.00; 2065.00] |
|
|
| I | 2053.00 | NIST | |
| I | 2042.00 | NIST | |
| I | 2042.00 | NIST | |
| I | 2053.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2053.00 | NIST | |
| Tboil | 559.30 | K | Relay (1.0) Calculated Property |
| Tc | 747.00 | K | Relay (1.0) Calculated Property |
| Tfus | 256.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.85; 738.45] | J/mol×K | [613.07; 826.72] |
|
| Cp,gas | 606.85 | J/mol×K | 613.07 | Joback Calculated Property |
| Cp,gas | 632.33 | J/mol×K | 648.68 | Joback Calculated Property |
| Cp,gas | 656.41 | J/mol×K | 684.29 | Joback Calculated Property |
| Cp,gas | 679.08 | J/mol×K | 719.90 | Joback Calculated Property |
| Cp,gas | 700.33 | J/mol×K | 755.51 | Joback Calculated Property |
| Cp,gas | 720.12 | J/mol×K | 791.11 | Joback Calculated Property |
| Cp,gas | 738.45 | J/mol×K | 826.72 | Joback Calculated Property |
| η | [0.0000628; 0.0050581] | Pa×s | [276.57; 613.07] |
|
| η | 0.0050581 | Pa×s | 276.57 | Joback Calculated Property |
| η | 0.0013141 | Pa×s | 332.65 | Joback Calculated Property |
| η | 0.0005037 | Pa×s | 388.74 | Joback Calculated Property |
| η | 0.0002459 | Pa×s | 444.82 | Joback Calculated Property |
| η | 0.0001409 | Pa×s | 500.90 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 556.99 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 613.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Germacrene D-1,10-epoxide.
Sources
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