- InChI
- InChI=1S/C13H18/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-9H,1,10H2,2-4H3/b9-6+
- InChI Key
- ACFCPKXNISJZKZ-RMKNXTFCSA-N
- Formula
- C13H18
- SMILES
- C=CC=CC1=C(C)C=CCC1(C)C
- Molecular Weight1
- 174.28
- 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° | 286.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 4.031 | Crippen Calculated Property | |
| McVol | 165.970 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [1335.00; 1348.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1348.00 | NIST | |
| I | [1682.00; 1682.00] |
|
|
| I | 1682.00 | NIST | |
| I | 1682.00 | NIST | |
| Tboil | 525.75 | K | Joback Calculated Property |
| Tc | 743.38 | K | Joback Calculated Property |
| Tfus | 287.27 | K | Joback Calculated Property |
| Vc | 0.627 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.05; 466.82] | J/mol×K | [525.75; 743.38] |
|
| Cp,gas | 375.05 | J/mol×K | 525.75 | Joback Calculated Property |
| Cp,gas | 392.81 | J/mol×K | 562.02 | Joback Calculated Property |
| Cp,gas | 409.41 | J/mol×K | 598.29 | Joback Calculated Property |
| Cp,gas | 424.97 | J/mol×K | 634.56 | Joback Calculated Property |
| Cp,gas | 439.63 | J/mol×K | 670.83 | Joback Calculated Property |
| Cp,gas | 453.54 | J/mol×K | 707.11 | Joback Calculated Property |
| Cp,gas | 466.82 | J/mol×K | 743.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dehydroionene.
Sources
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