- InChI
- InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
- InChI Key
- BRGVKVZXDWGJBX-UHFFFAOYSA-N
- Formula
- C10H13Br
- SMILES
- CCCCc1ccc(Br)cc1
- Molecular Weight1
- 213.11
- CAS
- 41492-05-1
- Other Names
-
- 1-(4-bromophenyl)propane
- 1-Brom-4-butylbenzen
- 1-Bromo-4-butylbenzene
- Benzene, 1-bromo-4-butyl-
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.4365 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 145.500 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 518.70 ± 0.30 | K | NIST |
| Tc | 715.08 | K | Relay (1.0) Calculated Property |
| Tfus | 247.50 ± 0.02 | K | NIST |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.37; 369.58] | J/mol×K | [526.02; 748.00] | 
|
| Cp,gas | 298.37 | J/mol×K | 526.02 | Joback Calculated Property |
| Cp,gas | 312.25 | J/mol×K | 563.02 | Joback Calculated Property |
| Cp,gas | 325.27 | J/mol×K | 600.01 | Joback Calculated Property |
| Cp,gas | 337.46 | J/mol×K | 637.01 | Joback Calculated Property |
| Cp,gas | 348.89 | J/mol×K | 674.01 | Joback Calculated Property |
| Cp,gas | 359.58 | J/mol×K | 711.00 | Joback Calculated Property |
| Cp,gas | 369.58 | J/mol×K | 748.00 | Joback Calculated Property |
| η | [0.0002509; 0.0021656] | Pa×s | [301.20; 526.02] |
|
| η | 0.0021656 | Pa×s | 301.20 | Joback Calculated Property |
| η | 0.0012395 | Pa×s | 338.67 | Joback Calculated Property |
| η | 0.0007929 | Pa×s | 376.14 | Joback Calculated Property |
| η | 0.0005500 | Pa×s | 413.61 | Joback Calculated Property |
| η | 0.0004054 | Pa×s | 451.08 | Joback Calculated Property |
| η | 0.0003131 | Pa×s | 488.55 | Joback Calculated Property |
| η | 0.0002509 | Pa×s | 526.02 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [382.56; 552.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40884e+01 | |||
| Coefficient B | -4.10846e+03 | |||
| Coefficient C | -8.48620e+01 | |||
| Temperature range, min. | 382.56 | |||
| Temperature range, max. | 552.96 | |||
| Pvap | 1.33 | kPa | 382.56 | Calculated Property |
| Pvap | 3.04 | kPa | 401.49 | Calculated Property |
| Pvap | 6.33 | kPa | 420.43 | Calculated Property |
| Pvap | 12.17 | kPa | 439.36 | Calculated Property |
| Pvap | 21.90 | kPa | 458.29 | Calculated Property |
| Pvap | 37.24 | kPa | 477.23 | Calculated Property |
| Pvap | 60.30 | kPa | 496.16 | Calculated Property |
| Pvap | 93.59 | kPa | 515.09 | Calculated Property |
| Pvap | 139.98 | kPa | 534.03 | Calculated Property |
| Pvap | 202.64 | kPa | 552.96 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-n-butylbenzene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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