- InChI
- InChI=1S/C3HBr5O/c4-2(5)1(9)3(6,7)8/h2H
- InChI Key
- OEQPNRAFDGLBAW-UHFFFAOYSA-N
- Formula
- C3HBr5O
- SMILES
- O=C(C(Br)Br)C(Br)(Br)Br
- Molecular Weight1
- 452.56
- CAS
- 79-49-2
- 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 | 0.5537 | Relay (... Calculated Property | |
| ΔfG° | -82.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.89 | kJ/mol | Relay (... Calculated Property |
| IE | 9.84 | eV | Relay (... Calculated Property |
| log10WS | -3.78 | Relay (... Calculated Property | |
| logPoct/wat | 3.510 | Crippen Calculated Property | |
| McVol | 142.200 | ml/mol | McGowan Calculated Property |
| Pc | 8718.08 | kPa | Joback Calculated Property |
| Tboil | 552.70 | K | Relay (... Calculated Property |
| Tc | 749.56 | K | Relay (... Calculated Property |
| Tfus | 334.56 | K | Relay (... Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.45; 207.82] | J/mol×K | [649.04; 939.48] | 
|
| Cp,gas | 196.45 | J/mol×K | 649.04 | Joback Calculated Property |
| Cp,gas | 199.10 | J/mol×K | 697.45 | Joback Calculated Property |
| Cp,gas | 201.21 | J/mol×K | 745.85 | Joback Calculated Property |
| Cp,gas | 202.97 | J/mol×K | 794.26 | Joback Calculated Property |
| Cp,gas | 204.54 | J/mol×K | 842.66 | Joback Calculated Property |
| Cp,gas | 206.10 | J/mol×K | 891.07 | Joback Calculated Property |
| Cp,gas | 207.82 | J/mol×K | 939.48 | Joback Calculated Property |
| η | [0.0002699; 0.0013503] | Pa×s | [459.92; 649.04] |
|
| η | 0.0013503 | Pa×s | 459.92 | Joback Calculated Property |
| η | 0.0009474 | Pa×s | 491.44 | Joback Calculated Property |
| η | 0.0006937 | Pa×s | 522.96 | Joback Calculated Property |
| η | 0.0005262 | Pa×s | 554.48 | Joback Calculated Property |
| η | 0.0004113 | Pa×s | 586.00 | Joback Calculated Property |
| η | 0.0003296 | Pa×s | 617.52 | Joback Calculated Property |
| η | 0.0002699 | Pa×s | 649.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanone, pentabromo-.
Sources
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