- InChI
- InChI=1S/C16H29BrO4/c1-2-3-13-20-15(18)10-9-11-16(19)21-14-8-6-4-5-7-12-17/h2-14H2,1H3
- InChI Key
- RQQAYDFABWDVDI-UHFFFAOYSA-N
- Formula
- C16H29BrO4
- SMILES
- CCCCOC(=O)CCCC(=O)OCCCCCCCBr
- Molecular Weight1
- 365.30
- 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° | -369.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.68 | Crippen Calculated Property | |
| logPoct/wat | 4.389 | Crippen Calculated Property | |
| McVol | 268.680 | ml/mol | McGowan Calculated Property |
| Pc | 1487.29 | kPa | Joback Calculated Property |
| Inp | [2345.00; 2345.00] |
|
|
| Inp | 2345.00 | NIST | |
| Inp | 2345.00 | NIST | |
| Tboil | 784.22 | K | Joback Calculated Property |
| Tc | 971.96 | K | Joback Calculated Property |
| Tfus | 474.20 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.43; 859.62] | J/mol×K | [784.22; 971.96] |
|
| Cp,gas | 780.43 | J/mol×K | 784.22 | Joback Calculated Property |
| Cp,gas | 795.78 | J/mol×K | 815.51 | Joback Calculated Property |
| Cp,gas | 810.24 | J/mol×K | 846.80 | Joback Calculated Property |
| Cp,gas | 823.84 | J/mol×K | 878.09 | Joback Calculated Property |
| Cp,gas | 836.60 | J/mol×K | 909.38 | Joback Calculated Property |
| Cp,gas | 848.52 | J/mol×K | 940.67 | Joback Calculated Property |
| Cp,gas | 859.62 | J/mol×K | 971.96 | Joback Calculated Property |
| η | [0.0000750; 0.0007993] | Pa×s | [474.20; 784.22] |
|
| η | 0.0007993 | Pa×s | 474.20 | Joback Calculated Property |
| η | 0.0004439 | Pa×s | 525.87 | Joback Calculated Property |
| η | 0.0002739 | Pa×s | 577.54 | Joback Calculated Property |
| η | 0.0001829 | Pa×s | 629.21 | Joback Calculated Property |
| η | 0.0001299 | Pa×s | 680.88 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 732.55 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 784.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 7-bromoheptyl ester.
Sources
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