- InChI
- InChI=1S/C16H21BrO5/c1-3-4-9-21-15(18)7-8-16(19)22-11-12-10-13(17)5-6-14(12)20-2/h5-6,10H,3-4,7-9,11H2,1-2H3
- InChI Key
- ONTSINWOGTYNRQ-UHFFFAOYSA-N
- Formula
- C16H21BrO5
- SMILES
-
CCCCOC(=O)CCC(=O)OCc1cc(Br)ccc
1OC - Molecular Weight1
- 373.24
- 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° | -381.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 3.624 | Crippen Calculated Property | |
| McVol | 250.790 | ml/mol | McGowan Calculated Property |
| Pc | 1875.65 | kPa | Joback Calculated Property |
| Inp | [2449.00; 2449.00] |
|
|
| Inp | 2449.00 | NIST | |
| Inp | 2449.00 | NIST | |
| Tboil | 843.28 | K | Joback Calculated Property |
| Tc | 1055.51 | K | Joback Calculated Property |
| Tfus | 547.89 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.35; 775.28] | J/mol×K | [843.28; 1055.51] |
|
| Cp,gas | 713.35 | J/mol×K | 843.28 | Joback Calculated Property |
| Cp,gas | 726.34 | J/mol×K | 878.65 | Joback Calculated Property |
| Cp,gas | 738.26 | J/mol×K | 914.02 | Joback Calculated Property |
| Cp,gas | 749.11 | J/mol×K | 949.40 | Joback Calculated Property |
| Cp,gas | 758.90 | J/mol×K | 984.77 | Joback Calculated Property |
| Cp,gas | 767.62 | J/mol×K | 1020.14 | Joback Calculated Property |
| Cp,gas | 775.28 | J/mol×K | 1055.51 | Joback Calculated Property |
| η | [0.0000583; 0.0003705] | Pa×s | [547.89; 843.28] |
|
| η | 0.0003705 | Pa×s | 547.89 | Joback Calculated Property |
| η | 0.0002398 | Pa×s | 597.12 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 646.35 | Joback Calculated Property |
| η | 0.0001208 | Pa×s | 695.59 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 744.82 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 794.05 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 843.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 5-bromo-2-methoxybenzyl butyl ester.
Sources
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