- InChI
- InChI=1S/C10H19BrO2/c1-2-3-6-9-13-10(12)7-4-5-8-11/h2-9H2,1H3
- InChI Key
- FMNQYYCJDDZAHH-UHFFFAOYSA-N
- Formula
- C10H19BrO2
- SMILES
- CCCCCOC(=O)CCCCBr
- Molecular Weight1
- 251.16
- CAS
- 13931-41-4
- 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° | -186.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 3.285 | Crippen Calculated Property | |
| McVol | 176.700 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| Inp | [1537.50; 1537.50] |
|
|
| Inp | 1537.50 | NIST | |
| Inp | 1537.50 | NIST | |
| Tboil | 570.65 | K | Joback Calculated Property |
| Tc | 756.07 | K | Joback Calculated Property |
| Tfus | 334.42 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.99; 485.63] | J/mol×K | [570.65; 756.07] |
|
| Cp,gas | 412.99 | J/mol×K | 570.65 | Joback Calculated Property |
| Cp,gas | 426.59 | J/mol×K | 601.55 | Joback Calculated Property |
| Cp,gas | 439.57 | J/mol×K | 632.46 | Joback Calculated Property |
| Cp,gas | 451.95 | J/mol×K | 663.36 | Joback Calculated Property |
| Cp,gas | 463.74 | J/mol×K | 694.27 | Joback Calculated Property |
| Cp,gas | 474.96 | J/mol×K | 725.17 | Joback Calculated Property |
| Cp,gas | 485.63 | J/mol×K | 756.07 | Joback Calculated Property |
| η | [0.0002199; 0.0023247] | Pa×s | [334.42; 570.65] |
|
| η | 0.0023247 | Pa×s | 334.42 | Joback Calculated Property |
| η | 0.0012758 | Pa×s | 373.79 | Joback Calculated Property |
| η | 0.0007850 | Pa×s | 413.16 | Joback Calculated Property |
| η | 0.0005256 | Pa×s | 452.53 | Joback Calculated Property |
| η | 0.0003752 | Pa×s | 491.91 | Joback Calculated Property |
| η | 0.0002816 | Pa×s | 531.28 | Joback Calculated Property |
| η | 0.0002199 | Pa×s | 570.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, pentyl ester.
Sources
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