- InChI
- InChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3
- InChI Key
- UTJJFHJHTZKQSW-UHFFFAOYSA-N
- Formula
- C15H30
- SMILES
- CC1CCCC(C)CCC(C)(C)CCC1
- Molecular Weight1
- 210.40
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 18.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 5.419 | Crippen Calculated Property | |
| McVol | 211.350 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [1521.00; 1541.00] |
|
|
| Inp | 1521.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1521.00 | NIST | |
| I | [1609.00; 1637.00] |
|
|
| I | 1609.00 | NIST | |
| I | 1637.00 | NIST | |
| Tboil | 574.40 | K | Joback Calculated Property |
| Tc | 802.23 | K | Joback Calculated Property |
| Tfus | 264.01 | K | Joback Calculated Property |
| Vc | 0.764 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [560.72; 712.09] | J/mol×K | [574.40; 802.23] |
|
| Cp,gas | 560.72 | J/mol×K | 574.40 | Joback Calculated Property |
| Cp,gas | 589.76 | J/mol×K | 612.37 | Joback Calculated Property |
| Cp,gas | 617.15 | J/mol×K | 650.34 | Joback Calculated Property |
| Cp,gas | 642.99 | J/mol×K | 688.32 | Joback Calculated Property |
| Cp,gas | 667.37 | J/mol×K | 726.29 | Joback Calculated Property |
| Cp,gas | 690.37 | J/mol×K | 764.26 | Joback Calculated Property |
| Cp,gas | 712.09 | J/mol×K | 802.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Humulane.
Sources
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