- InChI
- InChI=1S/C14H25BrO4/c1-2-18-13(16)9-8-10-14(17)19-12-7-5-3-4-6-11-15/h2-12H2,1H3
- InChI Key
- ASRLXJMQWYBHOP-UHFFFAOYSA-N
- Formula
- C14H25BrO4
- SMILES
- CCOC(=O)CCCC(=O)OCCCCCCCBr
- Molecular Weight1
- 337.25
- 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 | 0.9127 | Relay (1.0) Calculated Property | |
| ΔfG° | -539.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.608 | Crippen Calculated Property | |
| McVol | 240.500 | ml/mol | McGowan Calculated Property |
| Pc | 1621.98 | kPa | Joback Calculated Property |
| Inp | [2454.00; 2454.00] |
|
|
| Inp | 2454.00 | NIST | |
| Inp | 2454.00 | NIST | |
| Tboil | 605.78 | K | Relay (1.0) Calculated Property |
| Tc | 771.18 | K | Relay (1.0) Calculated Property |
| Tfus | 276.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.906 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.14; 766.89] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.91710e+01 | |||
| Coefficient B | 1.26242e+00 | |||
| Coefficient C | -6.20000e-04 | |||
| Coefficient D | 7.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 349.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 486.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 545.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 597.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 642.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 682.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 716.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 744.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 766.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016791; 0.0001349] | Pa×s | [392.00; 619.35] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.32592e+01 | |||
| Coefficient B | 2.69290e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 392.00 | |||
| Temperature range, max. | 619.35 | |||
| η | 0.0016791 | Pa×s | 392.00 | Calculated Property |
| η | 0.0011078 | Pa×s | 417.26 | Calculated Property |
| η | 0.0007664 | Pa×s | 442.52 | Calculated Property |
| η | 0.0005517 | Pa×s | 467.78 | Calculated Property |
| η | 0.0004108 | Pa×s | 493.04 | Calculated Property |
| η | 0.0003148 | Pa×s | 518.30 | Calculated Property |
| η | 0.0002473 | Pa×s | 543.56 | Calculated Property |
| η | 0.0001984 | Pa×s | 568.82 | Calculated Property |
| η | 0.0001623 | Pa×s | 594.09 | Calculated Property |
| η | 0.0001349 | Pa×s | 619.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 7-bromoheptyl ethyl ester.
Sources
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