- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.08; 464.58] | J/mol×K | [587.68; 780.56] | 
|
| Cp,gas | 400.08 | J/mol×K | 587.68 | Joback Calculated Property |
| Cp,gas | 412.48 | J/mol×K | 619.83 | Joback Calculated Property |
| Cp,gas | 424.23 | J/mol×K | 651.97 | Joback Calculated Property |
| Cp,gas | 435.30 | J/mol×K | 684.12 | Joback Calculated Property |
| Cp,gas | 445.72 | J/mol×K | 716.26 | Joback Calculated Property |
| Cp,gas | 455.48 | J/mol×K | 748.41 | Joback Calculated Property |
| Cp,gas | 464.58 | J/mol×K | 780.56 | Joback Calculated Property |
| η | [0.0001529; 0.0037599] | Pa×s | [320.65; 587.68] |
|
| η | 0.0037599 | Pa×s | 320.65 | Joback Calculated Property |
| η | 0.0015926 | Pa×s | 365.15 | Joback Calculated Property |
| η | 0.0008130 | Pa×s | 409.66 | Joback Calculated Property |
| η | 0.0004735 | Pa×s | 454.17 | Joback Calculated Property |
| η | 0.0003037 | Pa×s | 498.67 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 543.18 | Joback Calculated Property |
| η | 0.0001529 | Pa×s | 587.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedioic acid, 2-bromo-, diethyl ester.
Sources
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