- 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
- 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.
- Ip : 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 | 0.2940 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) 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 | |
| Ip | [1609.00; 1637.00] |
|
|
| Ip | 1609.00 | NIST | |
| Ip | 1637.00 | NIST | |
| Tboil | 548.06 | K | Relay (1.0) Calculated Property |
| Tc | 726.65 | K | Relay (1.0) Calculated Property |
| Tfus | 257.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.71; 807.81] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.40070e+02 | |||
| Coefficient B | 1.74188e+00 | |||
| Coefficient C | -1.06300e-03 | |||
| Coefficient D | 2.69000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 261.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 355.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 438.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 512.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 577.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 635.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 686.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 731.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 771.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 807.81 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Humulane.
Sources
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