- InChI
- InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
- InChI Key
- CHUGKEQJSLOLHL-UHFFFAOYSA-N
- Formula
- C5H10Br2O2
- SMILES
- OCC(CO)(CBr)CBr
- Molecular Weight1
- 261.94
- CAS
- 3296-90-0
- Other Names
-
- Dibromoneopentyl glycol
- Dibromopentaerythritol
- Pentaerythritol dibromide
- Pentaerythritol dibromohydrin
- 1,3-Dibromo-2,2-dimethylolpropane
- 2,2-Bis(bromomethyl)-1,3-propanediol
- 2,2-Dibromomethyl-1,3-propanediol
- FR 1138
- NCI-C55516
- 1,3-Propanediol, 2,2-bis(2-bromomethyl)-
- 2,2-Bis(2-bromomethyl)-1,3-propanediol
- 1,3-Dibromo-2,2-dihydroxymethylpropane
- FR 522
- DBNPG
- NSC 9001
- 2,2-bis(bromomethyl)propane-1,3-diol
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -250.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.66 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 0.747 | Crippen Calculated Property | |
| McVol | 128.050 | ml/mol | McGowan Calculated Property |
| Pc | 5430.51 | kPa | Joback Calculated Property |
| Tboil | 627.25 | K | Joback Calculated Property |
| Tc | 818.86 | K | Joback Calculated Property |
| Tfus | 389.77 | K | Joback Calculated Property |
| Vc | 0.467 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.63; 310.22] | J/mol×K | [627.25; 818.86] | 
|
| Cp,gas | 276.63 | J/mol×K | 627.25 | Joback Calculated Property |
| Cp,gas | 283.17 | J/mol×K | 659.19 | Joback Calculated Property |
| Cp,gas | 289.29 | J/mol×K | 691.12 | Joback Calculated Property |
| Cp,gas | 295.01 | J/mol×K | 723.06 | Joback Calculated Property |
| Cp,gas | 300.38 | J/mol×K | 754.99 | Joback Calculated Property |
| Cp,gas | 305.44 | J/mol×K | 786.93 | Joback Calculated Property |
| Cp,gas | 310.22 | J/mol×K | 818.86 | Joback Calculated Property |
| η | [0.0000339; 0.0044873] | Pa×s | [389.77; 627.25] |
|
| η | 0.0044873 | Pa×s | 389.77 | Joback Calculated Property |
| η | 0.0013654 | Pa×s | 429.35 | Joback Calculated Property |
| η | 0.0005079 | Pa×s | 468.93 | Joback Calculated Property |
| η | 0.0002204 | Pa×s | 508.51 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 548.09 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 587.67 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 627.25 | Joback Calculated Property |
| ΔfusH | 30.10 | kJ/mol | 387.30 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2,2-bis(bromomethyl)-.
Sources
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