- InChI
- InChI=1S/C18H35BrO2/c1-3-5-6-7-8-9-10-14-17(13-4-2)21-18(20)15-11-12-16-19/h17H,3-16H2,1-2H3
- InChI Key
- CIYHQZFTFQKAKR-UHFFFAOYSA-N
- Formula
- C18H35BrO2
- SMILES
- CCCCCCCCCC(CCC)OC(=O)CCCCBr
- Molecular Weight1
- 363.37
- 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 | 0.9455 | Relay (... Calculated Property | |
| ΔfG° | -121.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.77 | kJ/mol | Relay (... Calculated Property |
| IE | 9.58 | eV | Relay (... Calculated Property |
| log10WS | -6.33 | Relay (... Calculated Property | |
| logPoct/wat | 6.404 | Crippen Calculated Property | |
| McVol | 289.420 | ml/mol | McGowan Calculated Property |
| Pc | 1254.81 | kPa | Joback Calculated Property |
| Inp | [2166.00; 2166.00] |
|
|
| Inp | 2166.00 | NIST | |
| Inp | 2166.00 | NIST | |
| Tboil | 606.66 | K | Relay (... Calculated Property |
| Tc | 782.32 | K | Relay (... Calculated Property |
| Tfus | 260.17 | K | Relay (... Calculated Property |
| Vc | 1.071 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [844.38; 938.38] | J/mol×K | [753.25; 934.86] |
|
| Cp,gas | 844.38 | J/mol×K | 753.25 | Joback Calculated Property |
| Cp,gas | 862.22 | J/mol×K | 783.52 | Joback Calculated Property |
| Cp,gas | 879.15 | J/mol×K | 813.79 | Joback Calculated Property |
| Cp,gas | 895.20 | J/mol×K | 844.05 | Joback Calculated Property |
| Cp,gas | 910.40 | J/mol×K | 874.32 | Joback Calculated Property |
| Cp,gas | 924.79 | J/mol×K | 904.59 | Joback Calculated Property |
| Cp,gas | 938.38 | J/mol×K | 934.86 | Joback Calculated Property |
| η | [0.0000721; 0.0014522] | Pa×s | [409.58; 753.25] |
|
| η | 0.0014522 | Pa×s | 409.58 | Joback Calculated Property |
| η | 0.0006475 | Pa×s | 466.86 | Joback Calculated Property |
| η | 0.0003445 | Pa×s | 524.14 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 581.41 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 638.69 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 695.97 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 753.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 4-tridecyl ester.
Sources
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