- InChI
- InChI=1S/C15H22O/c1-11-6-5-8-15(3,4)9-7-12(2)14-13(10-11)16-14/h5,7-8,10,13-14H,6,9H2,1-4H3/b8-5+,11-10+,12-7+
- InChI Key
- CURDSHVMYFYNIX-GQRUBBQQSA-N
- Formula
- C15H22O
- SMILES
- CC1=CC2OC2C(C)=CCC(C)(C)C=CC1
- Molecular Weight1
- 218.33
- 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 | 0.2807 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.023 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2129.52 | kPa | Joback Calculated Property |
| Inp | [1598.00; 1598.00] |
|
|
| Inp | 1598.00 | NIST | |
| Inp | 1598.00 | NIST | |
| I | 2041.00 | NIST | |
| Tboil | 543.27 | K | Relay (1.0) Calculated Property |
| Tc | 737.25 | K | Relay (1.0) Calculated Property |
| Tfus | 324.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.59; 635.11] | J/mol×K | [611.66; 846.02] |
|
| Cp,gas | 519.59 | J/mol×K | 611.66 | Joback Calculated Property |
| Cp,gas | 541.74 | J/mol×K | 650.72 | Joback Calculated Property |
| Cp,gas | 562.54 | J/mol×K | 689.78 | Joback Calculated Property |
| Cp,gas | 582.13 | J/mol×K | 728.84 | Joback Calculated Property |
| Cp,gas | 600.66 | J/mol×K | 767.90 | Joback Calculated Property |
| Cp,gas | 618.27 | J/mol×K | 806.96 | Joback Calculated Property |
| Cp,gas | 635.11 | J/mol×K | 846.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Humulene-6,7-oxide.
Sources
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