- InChI
- InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
- InChI Key
- AFRWBGJRWRHQOV-UHFFFAOYSA-N
- Formula
- C7H13BrO2
- SMILES
- CCOC(=O)CCCCBr
- Molecular Weight1
- 209.08
- CAS
- 14660-52-7
- Other Names
-
- Ethyl 5-bromopentanoate
- Ethyl 5-bromovalerate
- Valeric acid, 5-bromo-, ethyl ester
- Ethyl «omega»-bromovalerate
- 5-Bromovaleric acid, ethyl ester
- 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.
- 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 | 0.5946 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.115 | Crippen Calculated Property | |
| McVol | 134.430 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Inp | 1240.00 | NIST | |
| Tboil | 486.97 | K | Relay (1.0) Calculated Property |
| Tc | 667.02 | K | Relay (1.0) Calculated Property |
| Tfus | 236.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.497 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.30; 397.65] | 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 | 3.01250e+01 | |||
| Coefficient B | 6.52220e-01 | |||
| Coefficient C | -3.33800e-04 | |||
| Coefficient D | 4.91000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 184.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 284.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 310.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 354.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 371.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 397.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040636; 0.0003070] | Pa×s | [270.78; 471.25] |
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 | -1.15773e+01 | |||
| Coefficient B | 1.64406e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 270.78 | |||
| Temperature range, max. | 471.25 | |||
| η | 0.0040636 | Pa×s | 270.78 | Calculated Property |
| η | 0.0025615 | Pa×s | 293.05 | Calculated Property |
| η | 0.0017234 | Pa×s | 315.33 | Calculated Property |
| η | 0.0012218 | Pa×s | 337.60 | Calculated Property |
| η | 0.0009038 | Pa×s | 359.88 | Calculated Property |
| η | 0.0006925 | Pa×s | 382.15 | Calculated Property |
| η | 0.0005464 | Pa×s | 404.43 | Calculated Property |
| η | 0.0004420 | Pa×s | 426.70 | Calculated Property |
| η | 0.0003651 | Pa×s | 448.97 | Calculated Property |
| η | 0.0003070 | Pa×s | 471.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 5-bromo-, ethyl ester.
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