- InChI
- InChI=1S/C15H22/c1-12-7-5-8-13(11-12)15(4)10-6-9-14(15,2)3/h5,7-8,11H,6,9-10H2,1-4H3/t15-/m0/s1
- InChI Key
- BBZBREYBGRYINI-HNNXBMFYSA-N
- Formula
- C15H22
- SMILES
- Cc1cccc(C2(C)CCCC2(C)C)c1
- Molecular Weight1
- 202.34
- 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.
- 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° | 196.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -57.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 4.463 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | [1488.00; 1488.00] |
|
|
| Inp | 1488.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Tboil | 585.35 | K | Joback Calculated Property |
| Tc | 824.05 | K | Joback Calculated Property |
| Tfus | 352.21 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.48; 594.26] | J/mol×K | [585.35; 824.05] |
|
| Cp,gas | 480.48 | J/mol×K | 585.35 | Joback Calculated Property |
| Cp,gas | 501.95 | J/mol×K | 625.13 | Joback Calculated Property |
| Cp,gas | 522.02 | J/mol×K | 664.92 | Joback Calculated Property |
| Cp,gas | 541.00 | J/mol×K | 704.70 | Joback Calculated Property |
| Cp,gas | 559.17 | J/mol×K | 744.48 | Joback Calculated Property |
| Cp,gas | 576.82 | J/mol×K | 784.27 | Joback Calculated Property |
| Cp,gas | 594.26 | J/mol×K | 824.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Herbertene.
Sources
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