- InChI
- InChI=1S/C9H16Br2O2/c1-7(2)4-3-5-13-9(12)8(11)6-10/h7-8H,3-6H2,1-2H3
- InChI Key
- RERWDLPVFANPHQ-UHFFFAOYSA-N
- Formula
- C9H16Br2O2
- SMILES
- CC(C)CCCOC(=O)C(Br)CBr
- Molecular Weight1
- 316.03
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -185.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 3.124 | Crippen Calculated Property | |
| McVol | 180.110 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Inp | [1474.00; 1474.00] |
|
|
| Inp | 1474.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Tboil | 613.05 | K | Joback Calculated Property |
| Tc | 820.85 | K | Joback Calculated Property |
| Tfus | 352.95 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.74; 471.01] | J/mol×K | [613.05; 820.85] |
|
| Cp,gas | 405.74 | J/mol×K | 613.05 | Joback Calculated Property |
| Cp,gas | 418.29 | J/mol×K | 647.68 | Joback Calculated Property |
| Cp,gas | 430.13 | J/mol×K | 682.32 | Joback Calculated Property |
| Cp,gas | 441.31 | J/mol×K | 716.95 | Joback Calculated Property |
| Cp,gas | 451.83 | J/mol×K | 751.58 | Joback Calculated Property |
| Cp,gas | 461.72 | J/mol×K | 786.22 | Joback Calculated Property |
| Cp,gas | 471.01 | J/mol×K | 820.85 | Joback Calculated Property |
| η | [0.0001885; 0.0025642] | Pa×s | [352.95; 613.05] |
|
| η | 0.0025642 | Pa×s | 352.95 | Joback Calculated Property |
| η | 0.0013082 | Pa×s | 396.30 | Joback Calculated Property |
| η | 0.0007622 | Pa×s | 439.65 | Joback Calculated Property |
| η | 0.0004893 | Pa×s | 483.00 | Joback Calculated Property |
| η | 0.0003379 | Pa×s | 526.35 | Joback Calculated Property |
| η | 0.0002468 | Pa×s | 569.70 | Joback Calculated Property |
| η | 0.0001885 | Pa×s | 613.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,3-dibromo, 4-methylpentyl ester.
Sources
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