- InChI
- InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
- InChI Key
- SGTITUFGCGGICE-UHFFFAOYSA-N
- Formula
- C5H11BrO2
- SMILES
- COC(C)(CBr)OC
- Molecular Weight1
- 183.04
- CAS
- 126-38-5
- Other Names
-
- Propane, 1-bromo-2,2-dimethoxy-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -439.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.390 | Crippen Calculated Property | |
| McVol | 110.550 | ml/mol | McGowan Calculated Property |
| Tboil | 433.80 | K | Relay (1.0) Calculated Property |
| Tfus | 198.39 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.26; 260.01] | J/mol×K | [421.57; 618.50] | 
|
| Cp,gas | 206.26 | J/mol×K | 421.57 | Joback Calculated Property |
| Cp,gas | 216.31 | J/mol×K | 454.39 | Joback Calculated Property |
| Cp,gas | 225.91 | J/mol×K | 487.21 | Joback Calculated Property |
| Cp,gas | 235.07 | J/mol×K | 520.03 | Joback Calculated Property |
| Cp,gas | 243.80 | J/mol×K | 552.86 | Joback Calculated Property |
| Cp,gas | 252.11 | J/mol×K | 585.68 | Joback Calculated Property |
| Cp,gas | 260.01 | J/mol×K | 618.50 | Joback Calculated Property |
| η | [0.0002822; 0.0032903] | Pa×s | [252.79; 421.57] |
|
| η | 0.0032903 | Pa×s | 252.79 | Joback Calculated Property |
| η | 0.0017802 | Pa×s | 280.92 | Joback Calculated Property |
| η | 0.0010771 | Pa×s | 309.05 | Joback Calculated Property |
| η | 0.0007087 | Pa×s | 337.18 | Joback Calculated Property |
| η | 0.0004973 | Pa×s | 365.31 | Joback Calculated Property |
| η | 0.0003671 | Pa×s | 393.44 | Joback Calculated Property |
| η | 0.0002822 | Pa×s | 421.57 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.20 | K | 11.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Bromo-2,2-dimethoxypropane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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