- InChI
- InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-8-11-14-18-15(17)12-9-10-13-16/h2-14H2,1H3
- InChI Key
- GHTHELFDXOZRSL-UHFFFAOYSA-N
- Formula
- C15H29BrO2
- SMILES
- CCCCCCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 321.29
- CAS
- 175083-30-4
- 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 | 0.8896 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 247.150 | ml/mol | McGowan Calculated Property |
| Pc | 1546.35 | kPa | Joback Calculated Property |
| Inp | 1935.80 | NIST | |
| Tboil | 593.22 | K | Relay (1.0) Calculated Property |
| Tc | 765.25 | K | Relay (1.0) Calculated Property |
| Tfus | 279.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.931 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.62; 759.87] | J/mol×K | [685.05; 863.97] | 
|
| Cp,gas | 672.62 | J/mol×K | 685.05 | Joback Calculated Property |
| Cp,gas | 689.04 | J/mol×K | 714.87 | Joback Calculated Property |
| Cp,gas | 704.68 | J/mol×K | 744.69 | Joback Calculated Property |
| Cp,gas | 719.56 | J/mol×K | 774.51 | Joback Calculated Property |
| Cp,gas | 733.70 | J/mol×K | 804.33 | Joback Calculated Property |
| Cp,gas | 747.13 | J/mol×K | 834.15 | Joback Calculated Property |
| Cp,gas | 759.87 | J/mol×K | 863.97 | Joback Calculated Property |
| η | [0.0001184; 0.0016131] | Pa×s | [390.77; 685.05] |
|
| η | 0.0016131 | Pa×s | 390.77 | Joback Calculated Property |
| η | 0.0008189 | Pa×s | 439.82 | Joback Calculated Property |
| η | 0.0004762 | Pa×s | 488.86 | Joback Calculated Property |
| η | 0.0003058 | Pa×s | 537.91 | Joback Calculated Property |
| η | 0.0002114 | Pa×s | 586.96 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 636.00 | Joback Calculated Property |
| η | 0.0001184 | Pa×s | 685.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, decyl ester.
Sources
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