- InChI
- InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,8-9,11-14H,2,5,7H2,1,3-4H3
- InChI Key
- VSYNSZYUACCTAK-UHFFFAOYSA-N
- Formula
- C15H22
- SMILES
- C=C1CCC2C(C)C=CC3C(C12)C3(C)C
- 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° | 287.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 4.047 | Crippen Calculated Property | |
| McVol | 181.030 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Inp | [1534.00; 1534.00] |
|
|
| Inp | 1534.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Tboil | 555.91 | K | Joback Calculated Property |
| Tc | 773.35 | K | Joback Calculated Property |
| Tfus | 331.21 | K | Joback Calculated Property |
| Vc | 0.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.11; 601.57] | J/mol×K | [555.91; 773.35] |
|
| Cp,gas | 484.11 | J/mol×K | 555.91 | Joback Calculated Property |
| Cp,gas | 506.84 | J/mol×K | 592.15 | Joback Calculated Property |
| Cp,gas | 528.08 | J/mol×K | 628.39 | Joback Calculated Property |
| Cp,gas | 548.00 | J/mol×K | 664.63 | Joback Calculated Property |
| Cp,gas | 566.78 | J/mol×K | 700.87 | Joback Calculated Property |
| Cp,gas | 584.58 | J/mol×K | 737.11 | Joback Calculated Property |
| Cp,gas | 601.57 | J/mol×K | 773.35 | Joback Calculated Property |
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)
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Sources
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