- InChI
- InChI=1S/C13H18/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
- InChI Key
- VKZZGLZQWTWKTP-MDZDMXLPSA-N
- Formula
- C13H18
- SMILES
- CC(C)C=CC(C)c1ccccc1
- Molecular Weight1
- 174.28
- 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° | 246.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 31.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 4.002 | Crippen Calculated Property | |
| McVol | 165.970 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | [1293.00; 1293.00] |
|
|
| Inp | 1293.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Tboil | 526.80 | K | Joback Calculated Property |
| Tc | 741.62 | K | Joback Calculated Property |
| Tfus | 227.61 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.58; 468.67] | J/mol×K | [526.80; 741.62] |
|
| Cp,gas | 375.58 | J/mol×K | 526.80 | Joback Calculated Property |
| Cp,gas | 393.73 | J/mol×K | 562.60 | Joback Calculated Property |
| Cp,gas | 410.74 | J/mol×K | 598.41 | Joback Calculated Property |
| Cp,gas | 426.69 | J/mol×K | 634.21 | Joback Calculated Property |
| Cp,gas | 441.61 | J/mol×K | 670.01 | Joback Calculated Property |
| Cp,gas | 455.59 | J/mol×K | 705.82 | Joback Calculated Property |
| Cp,gas | 468.67 | J/mol×K | 741.62 | Joback Calculated Property |
| η | [0.0001461; 0.0083154] | Pa×s | [227.61; 526.80] |
|
| η | 0.0083154 | Pa×s | 227.61 | Joback Calculated Property |
| η | 0.0023145 | Pa×s | 277.48 | Joback Calculated Property |
| η | 0.0009511 | Pa×s | 327.34 | Joback Calculated Property |
| η | 0.0004945 | Pa×s | 377.20 | Joback Calculated Property |
| η | 0.0002995 | Pa×s | 427.07 | Joback Calculated Property |
| η | 0.0002014 | Pa×s | 476.93 | Joback Calculated Property |
| η | 0.0001461 | Pa×s | 526.80 | Joback Calculated Property |
Similar Compounds
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Sources
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