- InChI
- InChI=1S/C14H17BrO4/c1-3-18-13(16)7-8-14(17)19-10(2)11-5-4-6-12(15)9-11/h4-6,9-10H,3,7-8H2,1-2H3
- InChI Key
- RLOCIIFOBSLSSE-UHFFFAOYSA-N
- Formula
- C14H17BrO4
- SMILES
-
CCOC(=O)CCC(=O)OC(C)c1cccc(Br)
c1 - Molecular Weight1
- 329.19
- 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° | -286.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.397 | Crippen Calculated Property | |
| McVol | 216.740 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [2034.00; 2034.00] |
|
|
| Inp | 2034.00 | NIST | |
| Inp | 2034.00 | NIST | |
| Tboil | 769.68 | K | Joback Calculated Property |
| Tc | 989.26 | K | Joback Calculated Property |
| Tfus | 475.60 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.31; 642.40] | J/mol×K | [769.68; 989.26] |
|
| Cp,gas | 578.31 | J/mol×K | 769.68 | Joback Calculated Property |
| Cp,gas | 591.39 | J/mol×K | 806.28 | Joback Calculated Property |
| Cp,gas | 603.49 | J/mol×K | 842.87 | Joback Calculated Property |
| Cp,gas | 614.62 | J/mol×K | 879.47 | Joback Calculated Property |
| Cp,gas | 624.80 | J/mol×K | 916.07 | Joback Calculated Property |
| Cp,gas | 634.06 | J/mol×K | 952.66 | Joback Calculated Property |
| Cp,gas | 642.40 | J/mol×K | 989.26 | Joback Calculated Property |
| η | [0.0000934; 0.0007980] | Pa×s | [475.60; 769.68] |
|
| η | 0.0007980 | Pa×s | 475.60 | Joback Calculated Property |
| η | 0.0004723 | Pa×s | 524.61 | Joback Calculated Property |
| η | 0.0003057 | Pa×s | 573.63 | Joback Calculated Property |
| η | 0.0002119 | Pa×s | 622.64 | Joback Calculated Property |
| η | 0.0001550 | Pa×s | 671.65 | Joback Calculated Property |
| η | 0.0001183 | Pa×s | 720.67 | Joback Calculated Property |
| η | 0.0000934 | Pa×s | 769.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 1-(3-bromophenyl)ethyl ethyl ester.
Sources
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