- InChI
- InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+/t11-,12+,14-,15+/m1/s1
- InChI Key
- UFBUQKAQYQDEOE-SJFFUCJWSA-N
- Formula
- C15H24O2
- SMILES
- CC1(C)C=CCC2(C)OC2CCC2(C)OC2C1
- Molecular Weight1
- 236.35
- 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).
- 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 | 0.3909 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.458 | Crippen Calculated Property | |
| McVol | 197.070 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| I | [2340.00; 2362.00] |
|
|
| I | 2340.00 | NIST | |
| I | 2356.00 | NIST | |
| I | 2358.00 | NIST | |
| I | 2362.00 | NIST | |
| I | 2340.00 | NIST | |
| Tboil | 553.22 | K | Relay (1.0) Calculated Property |
| Tc | 779.78 | K | Relay (1.0) Calculated Property |
| Tfus | 314.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.02; 703.47] | J/mol×K | [624.34; 868.62] |
|
| Cp,gas | 575.02 | J/mol×K | 624.34 | Joback Calculated Property |
| Cp,gas | 598.00 | J/mol×K | 665.05 | Joback Calculated Property |
| Cp,gas | 619.71 | J/mol×K | 705.77 | Joback Calculated Property |
| Cp,gas | 640.64 | J/mol×K | 746.48 | Joback Calculated Property |
| Cp,gas | 661.26 | J/mol×K | 787.19 | Joback Calculated Property |
| Cp,gas | 682.04 | J/mol×K | 827.90 | Joback Calculated Property |
| Cp,gas | 703.47 | J/mol×K | 868.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Humulene diepoxide A.
Sources
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