- InChI
- InChI=1S/C14H22/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h8-11H,5-7H2,1-4H3
- InChI Key
- BDSMPLDBKOVNHW-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCc1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 190.32
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4719 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.327 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [1345.00; 1345.00] |
|
|
| Inp | 1345.00 | NIST | |
| Inp | 1345.00 | NIST | |
| I | [1559.00; 1566.50] |
|
|
| I | 1566.50 | NIST | |
| I | 1559.00 | NIST | |
| I | 1559.00 | NIST | |
| I | 1566.50 | NIST | |
| Tboil | 520.04 | K | Relay (1.0) Calculated Property |
| Tc | 715.64 | K | Relay (1.0) Calculated Property |
| Tfus | 210.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.45; 543.77] | J/mol×K | [548.35; 755.28] |
|
| Cp,gas | 445.45 | J/mol×K | 548.35 | Joback Calculated Property |
| Cp,gas | 464.48 | J/mol×K | 582.84 | Joback Calculated Property |
| Cp,gas | 482.38 | J/mol×K | 617.33 | Joback Calculated Property |
| Cp,gas | 499.20 | J/mol×K | 651.81 | Joback Calculated Property |
| Cp,gas | 515.00 | J/mol×K | 686.30 | Joback Calculated Property |
| Cp,gas | 529.84 | J/mol×K | 720.79 | Joback Calculated Property |
| Cp,gas | 543.77 | J/mol×K | 755.28 | Joback Calculated Property |
| η | [0.0001622; 0.0033632] | Pa×s | [288.90; 548.35] |
|
| η | 0.0033632 | Pa×s | 288.90 | Joback Calculated Property |
| η | 0.0014602 | Pa×s | 332.14 | Joback Calculated Property |
| η | 0.0007683 | Pa×s | 375.38 | Joback Calculated Property |
| η | 0.0004616 | Pa×s | 418.62 | Joback Calculated Property |
| η | 0.0003051 | Pa×s | 461.87 | Joback Calculated Property |
| η | 0.0002165 | Pa×s | 505.11 | Joback Calculated Property |
| η | 0.0001622 | Pa×s | 548.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-4-(1,1-dimethylethyl).
Sources
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