- InChI
- InChI=1S/C11H21BrO2/c1-3-5-6-7-8-9-14-11(13)10(12)4-2/h10H,3-9H2,1-2H3
- InChI Key
- MTMOXPALHHFPIA-UHFFFAOYSA-N
- Formula
- C11H21BrO2
- SMILES
- CCCCCCCOC(=O)C(Br)CC
- Molecular Weight1
- 265.19
- 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 | 0.6822 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.674 | Crippen Calculated Property | |
| McVol | 190.790 | ml/mol | McGowan Calculated Property |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Inp | [1503.00; 1503.00] |
|
|
| Inp | 1503.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Tboil | 526.23 | K | Relay (1.0) Calculated Property |
| Tc | 713.25 | K | Relay (1.0) Calculated Property |
| Tfus | 264.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.704 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.31; 539.99] | J/mol×K | [593.09; 779.97] |
|
| Cp,gas | 462.31 | J/mol×K | 593.09 | Joback Calculated Property |
| Cp,gas | 476.91 | J/mol×K | 624.24 | Joback Calculated Property |
| Cp,gas | 490.82 | J/mol×K | 655.38 | Joback Calculated Property |
| Cp,gas | 504.08 | J/mol×K | 686.53 | Joback Calculated Property |
| Cp,gas | 516.68 | J/mol×K | 717.68 | Joback Calculated Property |
| Cp,gas | 528.64 | J/mol×K | 748.82 | Joback Calculated Property |
| Cp,gas | 539.99 | J/mol×K | 779.97 | Joback Calculated Property |
| η | [0.0001832; 0.0027963] | Pa×s | [330.69; 593.09] |
|
| η | 0.0027963 | Pa×s | 330.69 | Joback Calculated Property |
| η | 0.0013618 | Pa×s | 374.42 | Joback Calculated Property |
| η | 0.0007709 | Pa×s | 418.16 | Joback Calculated Property |
| η | 0.0004860 | Pa×s | 461.89 | Joback Calculated Property |
| η | 0.0003319 | Pa×s | 505.62 | Joback Calculated Property |
| η | 0.0002408 | Pa×s | 549.36 | Joback Calculated Property |
| η | 0.0001832 | Pa×s | 593.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl 2-bromobutanoate.
Sources
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