- InChI
- InChI=1S/C17H21BrO4/c18-14-6-8-15(9-7-14)22-17(20)11-10-16(19)21-12-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2
- InChI Key
- DRNAZRMDDNCFTI-UHFFFAOYSA-N
- Formula
- C17H21BrO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(Br)cc1)OCC1C
CCCC1 - Molecular Weight1
- 369.25
- 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° | -234.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.55 | kJ/mol | Joback Calculated Property |
| log10WS | -5.23 | Crippen Calculated Property | |
| logPoct/wat | 4.258 | Crippen Calculated Property | |
| McVol | 248.150 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [2612.00; 2612.00] |
|
|
| Inp | 2612.00 | NIST | |
| Inp | 2612.00 | NIST | |
| Tboil | 858.31 | K | Joback Calculated Property |
| Tc | 1093.87 | K | Joback Calculated Property |
| Tfus | 531.79 | K | Joback Calculated Property |
| Vc | 0.922 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.39; 805.14] | J/mol×K | [858.31; 1093.87] |
|
| Cp,gas | 737.39 | J/mol×K | 858.31 | Joback Calculated Property |
| Cp,gas | 752.15 | J/mol×K | 897.57 | Joback Calculated Property |
| Cp,gas | 765.48 | J/mol×K | 936.83 | Joback Calculated Property |
| Cp,gas | 777.40 | J/mol×K | 976.09 | Joback Calculated Property |
| Cp,gas | 787.96 | J/mol×K | 1015.35 | Joback Calculated Property |
| Cp,gas | 797.19 | J/mol×K | 1054.61 | Joback Calculated Property |
| Cp,gas | 805.14 | J/mol×K | 1093.87 | Joback Calculated Property |
| η | [0.0000691; 0.0006076] | Pa×s | [531.79; 858.31] |
|
| η | 0.0006076 | Pa×s | 531.79 | Joback Calculated Property |
| η | 0.0003575 | Pa×s | 586.21 | Joback Calculated Property |
| η | 0.0002301 | Pa×s | 640.63 | Joback Calculated Property |
| η | 0.0001587 | Pa×s | 695.05 | Joback Calculated Property |
| η | 0.0001156 | Pa×s | 749.47 | Joback Calculated Property |
| η | 0.0000878 | Pa×s | 803.89 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 858.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl 4-bromophenyl ester.
Sources
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