- InChI
- InChI=1S/C14H22/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)3/h7-10,12H,4-6,11H2,1-3H3
- InChI Key
- YGZJMJYMAYHEMM-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCc1ccc(CC(C)C)cc1
- Molecular Weight1
- 190.32
- 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.
- 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° | 167.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 4.228 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | [1360.00; 1360.00] |
|
|
| Inp | 1360.00 | NIST | |
| Inp | 1360.00 | NIST | |
| I | [1561.00; 1569.20] |
|
|
| I | 1569.20 | NIST | |
| I | 1561.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1561.00 | NIST | |
| Tboil | 550.94 | K | Joback Calculated Property |
| Tc | 750.04 | K | Joback Calculated Property |
| Tfus | 271.48 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.71; 538.86] | J/mol×K | [550.94; 750.04] |
|
| Cp,gas | 442.71 | J/mol×K | 550.94 | Joback Calculated Property |
| Cp,gas | 461.01 | J/mol×K | 584.12 | Joback Calculated Property |
| Cp,gas | 478.35 | J/mol×K | 617.31 | Joback Calculated Property |
| Cp,gas | 494.77 | J/mol×K | 650.49 | Joback Calculated Property |
| Cp,gas | 510.30 | J/mol×K | 683.67 | Joback Calculated Property |
| Cp,gas | 524.99 | J/mol×K | 716.85 | Joback Calculated Property |
| Cp,gas | 538.86 | J/mol×K | 750.04 | Joback Calculated Property |
| η | [0.0001648; 0.0035872] | Pa×s | [271.48; 550.94] |
|
| η | 0.0035872 | Pa×s | 271.48 | Joback Calculated Property |
| η | 0.0014741 | Pa×s | 318.06 | Joback Calculated Property |
| η | 0.0007603 | Pa×s | 364.63 | Joback Calculated Property |
| η | 0.0004556 | Pa×s | 411.21 | Joback Calculated Property |
| η | 0.0003030 | Pa×s | 457.79 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 504.36 | Joback Calculated Property |
| η | 0.0001648 | Pa×s | 550.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-4-(2-methylpropyl).
Sources
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