- InChI
- InChI=1S/C13H18/c1-9-5-6-11-12(9)10(2)7-8-13(11,3)4/h5-7,9H,8H2,1-4H3
- InChI Key
- VZRXNBZXHYOPOV-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- CC1=CCC(C)(C)C2=C1C(C)C=C2
- 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° | 199.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | 1199.00 | NIST | |
| I | 1432.00 | NIST | |
| Tboil | 535.79 | K | Joback Calculated Property |
| Tc | 758.43 | K | Joback Calculated Property |
| Tfus | 325.33 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.52; 474.66] | J/mol×K | [535.79; 758.43] | 
|
| Cp,gas | 380.52 | J/mol×K | 535.79 | Joback Calculated Property |
| Cp,gas | 398.73 | J/mol×K | 572.90 | Joback Calculated Property |
| Cp,gas | 415.73 | J/mol×K | 610.00 | Joback Calculated Property |
| Cp,gas | 431.68 | J/mol×K | 647.11 | Joback Calculated Property |
| Cp,gas | 446.71 | J/mol×K | 684.21 | Joback Calculated Property |
| Cp,gas | 460.99 | J/mol×K | 721.32 | Joback Calculated Property |
| Cp,gas | 474.66 | J/mol×K | 758.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4,4,7a-tetramethyl-4,5-dihydroindene.
Sources
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