- InChI
- InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
- InChI Key
- CQWYAXCOVZKLHY-UHFFFAOYSA-N
- Formula
- C5H11Br
- SMILES
- CC(C)(C)CBr
- Molecular Weight1
- 151.04
- CAS
- 630-17-1
- Other Names
-
- (CH3)3CCH2Br
- 1-Bromo-2,2-dimethylpropane
- Neopentyl bromide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3198 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.01; 10.04] | eV |
|
| IE | 10.01 | eV | NIST |
| IE | 10.04 ± 0.01 | eV | NIST |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.427 | Crippen Calculated Property | |
| McVol | 98.810 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Tboil | 379.20 | K | NIST |
| Tc | 572.53 | K | Relay (1.0) Calculated Property |
| Tfus | 227.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.357 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 35.60 | kJ/mol | 356.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.70 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.08; 287.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.79390e+01 | |||
| Coefficient B | 6.42860e-01 | |||
| Coefficient C | -4.91400e-04 | |||
| Coefficient D | 1.54300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 181.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 203.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 223.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 239.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 254.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 266.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 277.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 287.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0067392; 0.0003275] | Pa×s | [208.33; 402.36] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12714e+01 | |||
| Coefficient B | 1.30656e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 208.33 | |||
| Temperature range, max. | 402.36 | |||
| η | 0.0067392 | Pa×s | 208.33 | Calculated Property |
| η | 0.0037427 | Pa×s | 229.89 | Calculated Property |
| η | 0.0022991 | Pa×s | 251.45 | Calculated Property |
| η | 0.0015253 | Pa×s | 273.01 | Calculated Property |
| η | 0.0010746 | Pa×s | 294.56 | Calculated Property |
| η | 0.0007941 | Pa×s | 316.12 | Calculated Property |
| η | 0.0006099 | Pa×s | 337.68 | Calculated Property |
| η | 0.0004835 | Pa×s | 359.24 | Calculated Property |
| η | 0.0003936 | Pa×s | 380.80 | Calculated Property |
| η | 0.0003275 | Pa×s | 402.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [285.11; 403.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35022e+01 | |||
| Coefficient B | -2.55049e+03 | |||
| Coefficient C | -9.21060e+01 | |||
| Temperature range, min. | 285.11 | |||
| Temperature range, max. | 403.50 | |||
| Pvap | 1.33 | kPa | 285.11 | Calculated Property |
| Pvap | 3.10 | kPa | 298.26 | Calculated Property |
| Pvap | 6.51 | kPa | 311.42 | Calculated Property |
| Pvap | 12.56 | kPa | 324.57 | Calculated Property |
| Pvap | 22.61 | kPa | 337.73 | Calculated Property |
| Pvap | 38.33 | kPa | 350.88 | Calculated Property |
| Pvap | 61.74 | kPa | 364.04 | Calculated Property |
| Pvap | 95.18 | kPa | 377.19 | Calculated Property |
| Pvap | 141.22 | kPa | 390.35 | Calculated Property |
| Pvap | 202.67 | kPa | 403.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-bromo-2,2-dimethyl-.
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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