- InChI
- InChI=1S/C15H24/c1-13(2)11-7-9-14(3,10-11)15(4)8-5-6-12(13)15/h6,11H,5,7-10H2,1-4H3
- InChI Key
- DMKFNUKIDOMPDV-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CC1(C)C2=CCCC2(C)C2(C)CCC1C2
- Molecular Weight1
- 204.35
- 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° | 229.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.559 | Crippen Calculated Property | |
| McVol | 185.330 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| Inp | [1424.00; 1457.00] |
|
|
| Inp | 1457.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Inp | 1457.00 | NIST | |
| Inp | 1424.00 | NIST | |
| I | [1579.00; 1642.00] |
|
|
| I | 1642.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1642.00 | NIST | |
| I | 1579.00 | NIST | |
| Tboil | 571.55 | K | Joback Calculated Property |
| Tc | 806.48 | K | Joback Calculated Property |
| Tfus | 386.33 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.53; 620.08] | J/mol×K | [571.55; 806.48] |
|
| Cp,gas | 501.53 | J/mol×K | 571.55 | Joback Calculated Property |
| Cp,gas | 523.86 | J/mol×K | 610.71 | Joback Calculated Property |
| Cp,gas | 544.56 | J/mol×K | 649.86 | Joback Calculated Property |
| Cp,gas | 564.09 | J/mol×K | 689.02 | Joback Calculated Property |
| Cp,gas | 582.88 | J/mol×K | 728.17 | Joback Calculated Property |
| Cp,gas | 601.40 | J/mol×K | 767.33 | Joback Calculated Property |
| Cp,gas | 620.08 | J/mol×K | 806.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobarbatene.
Sources
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