- InChI
- InChI=1S/C13H20/c1-4-11(2)12(3)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3
- InChI Key
- XXMOXJHABFGPJR-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCC(C)C(C)Cc1ccccc1
- Molecular Weight1
- 176.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 166.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.911 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | 1314.00 | NIST | |
| Tboil | 522.64 | K | Joback Calculated Property |
| Tc | 727.89 | K | Joback Calculated Property |
| Tfus | 232.69 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.25; 489.50] | J/mol×K | [522.64; 727.89] | 
|
| Cp,gas | 393.25 | J/mol×K | 522.64 | Joback Calculated Property |
| Cp,gas | 411.73 | J/mol×K | 556.85 | Joback Calculated Property |
| Cp,gas | 429.19 | J/mol×K | 591.06 | Joback Calculated Property |
| Cp,gas | 445.65 | J/mol×K | 625.26 | Joback Calculated Property |
| Cp,gas | 461.16 | J/mol×K | 659.47 | Joback Calculated Property |
| Cp,gas | 475.77 | J/mol×K | 693.68 | Joback Calculated Property |
| Cp,gas | 489.50 | J/mol×K | 727.89 | Joback Calculated Property |
| η | [0.0001727; 0.0086915] | Pa×s | [232.69; 522.64] |
|
| η | 0.0086915 | Pa×s | 232.69 | Joback Calculated Property |
| η | 0.0025797 | Pa×s | 281.01 | Joback Calculated Property |
| η | 0.0010936 | Pa×s | 329.34 | Joback Calculated Property |
| η | 0.0005775 | Pa×s | 377.66 | Joback Calculated Property |
| η | 0.0003525 | Pa×s | 425.99 | Joback Calculated Property |
| η | 0.0002379 | Pa×s | 474.31 | Joback Calculated Property |
| η | 0.0001727 | Pa×s | 522.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2,3-dimethylpentyl.
Sources
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