- InChI
- InChI=1S/C9H15BrO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6H2,1-2H3
- InChI Key
- OXJSWZSWGJACGU-UHFFFAOYSA-N
- Formula
- C9H15BrO4
- SMILES
- CCOC(=O)CCC(Br)C(=O)OCC
- Molecular Weight1
- 267.12
- 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).
- 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 | 0.6545 | Relay (1.0) Calculated Property | |
| ΔfG° | -583.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -834.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.656 | Crippen Calculated Property | |
| McVol | 170.050 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Tboil | 538.20 | K | Relay (1.0) Calculated Property |
| Tc | 714.10 | K | Relay (1.0) Calculated Property |
| Tfus | 266.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.75; 509.47] | 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 | 5.20340e+01 | |||
| Coefficient B | 7.93340e-01 | |||
| Coefficient C | -3.51200e-04 | |||
| Coefficient D | 1.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 331.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 369.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 403.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 432.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 458.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 479.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 496.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 509.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037599; 0.0002044] | Pa×s | [320.65; 546.39] |
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 | -1.26313e+01 | |||
| Coefficient B | 2.25992e+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. | 320.65 | |||
| Temperature range, max. | 546.39 | |||
| η | 0.0037599 | Pa×s | 320.65 | Calculated Property |
| η | 0.0022548 | Pa×s | 345.73 | Calculated Property |
| η | 0.0014491 | Pa×s | 370.81 | Calculated Property |
| η | 0.0009849 | Pa×s | 395.90 | Calculated Property |
| η | 0.0007010 | Pa×s | 420.98 | Calculated Property |
| η | 0.0005183 | Pa×s | 446.06 | Calculated Property |
| η | 0.0003958 | Pa×s | 471.14 | Calculated Property |
| η | 0.0003106 | Pa×s | 496.23 | Calculated Property |
| η | 0.0002495 | Pa×s | 521.31 | Calculated Property |
| η | 0.0002044 | Pa×s | 546.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedioic acid, 2-bromo-, diethyl ester.
Sources
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