- InChI
- InChI=1S/C18H25BrO4/c1-4-7-16(13(2)3)23-18(21)11-10-17(20)22-12-14-8-5-6-9-15(14)19/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3
- InChI Key
- KBZMSANTBRQQLK-UHFFFAOYSA-N
- Formula
- C18H25BrO4
- SMILES
-
CCCC(OC(=O)CCC(=O)OCc1ccccc1Br
)C(C)C - Molecular Weight1
- 385.29
- 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° | -254.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 4.640 | Crippen Calculated Property | |
| McVol | 273.100 | ml/mol | McGowan Calculated Property |
| Pc | 1661.90 | kPa | Joback Calculated Property |
| Inp | [2379.00; 2379.00] |
|
|
| Inp | 2379.00 | NIST | |
| Inp | 2379.00 | NIST | |
| Tboil | 860.76 | K | Joback Calculated Property |
| Tc | 1075.59 | K | Joback Calculated Property |
| Tfus | 505.68 | K | Joback Calculated Property |
| Vc | 1.034 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.36; 871.52] | J/mol×K | [860.76; 1075.59] |
|
| Cp,gas | 802.36 | J/mol×K | 860.76 | Joback Calculated Property |
| Cp,gas | 816.64 | J/mol×K | 896.56 | Joback Calculated Property |
| Cp,gas | 829.78 | J/mol×K | 932.37 | Joback Calculated Property |
| Cp,gas | 841.80 | J/mol×K | 968.17 | Joback Calculated Property |
| Cp,gas | 852.75 | J/mol×K | 1003.98 | Joback Calculated Property |
| Cp,gas | 862.65 | J/mol×K | 1039.78 | Joback Calculated Property |
| Cp,gas | 871.52 | J/mol×K | 1075.59 | Joback Calculated Property |
| η | [0.0000484; 0.0005989] | Pa×s | [505.68; 860.76] |
|
| η | 0.0005989 | Pa×s | 505.68 | Joback Calculated Property |
| η | 0.0003161 | Pa×s | 564.86 | Joback Calculated Property |
| η | 0.0001883 | Pa×s | 624.04 | Joback Calculated Property |
| η | 0.0001227 | Pa×s | 683.22 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 742.40 | Joback Calculated Property |
| η | 0.0000630 | Pa×s | 801.58 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 860.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromobenzyl 2-methylhex-3-yl ester.
Sources
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