- InChI
- InChI=1S/C12H23BrO2/c1-2-3-4-5-8-11-15-12(14)9-6-7-10-13/h2-11H2,1H3
- InChI Key
- NGEGJBIKQPUVST-UHFFFAOYSA-N
- Formula
- C12H23BrO2
- SMILES
- CCCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 279.21
- CAS
- 13931-43-6
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7836 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.065 | Crippen Calculated Property | |
| McVol | 204.880 | ml/mol | McGowan Calculated Property |
| Pc | 1966.56 | kPa | Joback Calculated Property |
| Inp | 1738.00 | NIST | |
| Tboil | 561.93 | K | Relay (1.0) Calculated Property |
| Tc | 733.34 | K | Relay (1.0) Calculated Property |
| Tfus | 258.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.44; 591.95] | J/mol×K | [616.41; 798.29] | 
|
| Cp,gas | 512.44 | J/mol×K | 616.41 | Joback Calculated Property |
| Cp,gas | 527.35 | J/mol×K | 646.72 | Joback Calculated Property |
| Cp,gas | 541.57 | J/mol×K | 677.04 | Joback Calculated Property |
| Cp,gas | 555.13 | J/mol×K | 707.35 | Joback Calculated Property |
| Cp,gas | 568.03 | J/mol×K | 737.67 | Joback Calculated Property |
| Cp,gas | 580.30 | J/mol×K | 767.98 | Joback Calculated Property |
| Cp,gas | 591.95 | J/mol×K | 798.29 | Joback Calculated Property |
| η | [0.0001739; 0.0020531] | Pa×s | [356.96; 616.41] |
|
| η | 0.0020531 | Pa×s | 356.96 | Joback Calculated Property |
| η | 0.0010894 | Pa×s | 400.20 | Joback Calculated Property |
| η | 0.0006541 | Pa×s | 443.44 | Joback Calculated Property |
| η | 0.0004300 | Pa×s | 486.68 | Joback Calculated Property |
| η | 0.0003027 | Pa×s | 529.93 | Joback Calculated Property |
| η | 0.0002247 | Pa×s | 573.17 | Joback Calculated Property |
| η | 0.0001739 | Pa×s | 616.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, heptyl ester.
Sources
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