- InChI
- InChI=1S/C13H23BrO4/c1-2-17-12(15)8-9-13(16)18-11-7-5-3-4-6-10-14/h2-11H2,1H3
- InChI Key
- IOBBYMVEMCHVPC-UHFFFAOYSA-N
- Formula
- C13H23BrO4
- SMILES
- CCOC(=O)CCC(=O)OCCCCCCCBr
- Molecular Weight1
- 323.23
- 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 | 0.8731 | Relay (1.0) Calculated Property | |
| ΔfG° | -547.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.218 | Crippen Calculated Property | |
| McVol | 226.410 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | [2052.00; 2052.00] |
|
|
| Inp | 2052.00 | NIST | |
| Inp | 2052.00 | NIST | |
| Tboil | 593.18 | K | Relay (1.0) Calculated Property |
| Tc | 760.88 | K | Relay (1.0) Calculated Property |
| Tfus | 277.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.851 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.92; 715.30] | 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 | 5.00800e+01 | |||
| Coefficient B | 1.16742e+00 | |||
| Coefficient C | -5.65600e-04 | |||
| Coefficient D | 6.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 395.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 455.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 510.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 558.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 600.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 637.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 668.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 694.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 715.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018791; 0.0001509] | Pa×s | [380.73; 603.79] |
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 | -1.31026e+01 | |||
| Coefficient B | 2.59874e+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. | 380.73 | |||
| Temperature range, max. | 603.79 | |||
| η | 0.0018791 | Pa×s | 380.73 | Calculated Property |
| η | 0.0012381 | Pa×s | 405.51 | Calculated Property |
| η | 0.0008560 | Pa×s | 430.30 | Calculated Property |
| η | 0.0006161 | Pa×s | 455.08 | Calculated Property |
| η | 0.0004587 | Pa×s | 479.87 | Calculated Property |
| η | 0.0003516 | Pa×s | 504.65 | Calculated Property |
| η | 0.0002763 | Pa×s | 529.43 | Calculated Property |
| η | 0.0002218 | Pa×s | 554.22 | Calculated Property |
| η | 0.0001815 | Pa×s | 579.00 | Calculated Property |
| η | 0.0001509 | Pa×s | 603.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 7-bromoheptyl ester.
Sources
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