- InChI
- InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3
- InChI Key
- ODZZAIFAQLODKN-UHFFFAOYSA-N
- Formula
- C5H11BrO2
- SMILES
- COC(CCBr)OC
- Molecular Weight1
- 183.04
- CAS
- 36255-44-4
- Other Names
-
- Propane, 3-bromo-1,1-dimethoxy-
- 3-bromo-1,1-dimethoxypropane
- 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).
- 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 | 0.4487 | Relay (1.0) Calculated Property | |
| ΔfG° | -206.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.390 | Crippen Calculated Property | |
| McVol | 110.550 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 449.06 | K | Relay (1.0) Calculated Property |
| Tc | 613.71 | K | Relay (1.0) Calculated Property |
| Tfus | 201.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.86; 254.72] | J/mol×K | [424.36; 613.19] | 
|
| Cp,gas | 203.86 | J/mol×K | 424.36 | Joback Calculated Property |
| Cp,gas | 213.04 | J/mol×K | 455.83 | Joback Calculated Property |
| Cp,gas | 221.95 | J/mol×K | 487.30 | Joback Calculated Property |
| Cp,gas | 230.57 | J/mol×K | 518.77 | Joback Calculated Property |
| Cp,gas | 238.91 | J/mol×K | 550.24 | Joback Calculated Property |
| Cp,gas | 246.96 | J/mol×K | 581.72 | Joback Calculated Property |
| Cp,gas | 254.72 | J/mol×K | 613.19 | Joback Calculated Property |
| η | [0.0002549; 0.0032665] | Pa×s | [235.37; 424.36] |
|
| η | 0.0032665 | Pa×s | 235.37 | Joback Calculated Property |
| η | 0.0016615 | Pa×s | 266.87 | Joback Calculated Property |
| η | 0.0009748 | Pa×s | 298.37 | Joback Calculated Property |
| η | 0.0006332 | Pa×s | 329.87 | Joback Calculated Property |
| η | 0.0004435 | Pa×s | 361.36 | Joback Calculated Property |
| η | 0.0003288 | Pa×s | 392.86 | Joback Calculated Property |
| η | 0.0002549 | Pa×s | 424.36 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 332.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 3-Bromopropionaldehyde dimethyl acetal.
Sources
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