- InChI
- InChI=1S/C8H14Br2O2/c1-2-3-4-5-12-8(11)7(10)6-9/h7H,2-6H2,1H3
- InChI Key
- AUNZBTHVNYHFQL-UHFFFAOYSA-N
- Formula
- C8H14Br2O2
- SMILES
- CCCCCOC(=O)C(Br)CBr
- Molecular Weight1
- 302.00
- 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).
- 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 | 0.6685 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.878 | Crippen Calculated Property | |
| McVol | 166.020 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Inp | [1423.00; 1423.00] |
|
|
| Inp | 1423.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Tboil | 521.88 | K | Relay (1.0) Calculated Property |
| Tc | 720.18 | K | Relay (1.0) Calculated Property |
| Tfus | 302.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.95; 417.77] | J/mol×K | [590.61; 797.50] |
|
| Cp,gas | 357.95 | J/mol×K | 590.61 | Joback Calculated Property |
| Cp,gas | 369.41 | J/mol×K | 625.09 | Joback Calculated Property |
| Cp,gas | 380.25 | J/mol×K | 659.57 | Joback Calculated Property |
| Cp,gas | 390.48 | J/mol×K | 694.06 | Joback Calculated Property |
| Cp,gas | 400.13 | J/mol×K | 728.54 | Joback Calculated Property |
| Cp,gas | 409.22 | J/mol×K | 763.02 | Joback Calculated Property |
| Cp,gas | 417.77 | J/mol×K | 797.50 | Joback Calculated Property |
| η | [0.0002300; 0.0022142] | Pa×s | [356.68; 590.61] |
|
| η | 0.0022142 | Pa×s | 356.68 | Joback Calculated Property |
| η | 0.0012604 | Pa×s | 395.67 | Joback Calculated Property |
| η | 0.0007938 | Pa×s | 434.66 | Joback Calculated Property |
| η | 0.0005395 | Pa×s | 473.64 | Joback Calculated Property |
| η | 0.0003889 | Pa×s | 512.63 | Joback Calculated Property |
| η | 0.0002935 | Pa×s | 551.62 | Joback Calculated Property |
| η | 0.0002300 | Pa×s | 590.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,3-dibromo, pentyl ester.
Sources
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