- InChI
- InChI=1S/C16H21BrO5/c1-11(2)9-21-15(18)6-7-16(19)22-10-12-8-13(17)4-5-14(12)20-3/h4-5,8,11H,6-7,9-10H2,1-3H3
- InChI Key
- GSNDJAMQHFHZHB-UHFFFAOYSA-N
- Formula
- C16H21BrO5
- SMILES
-
COc1ccc(Br)cc1COC(=O)CCC(=O)OC
C(C)C - 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° | -383.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 3.480 | Crippen Calculated Property | |
| McVol | 250.790 | ml/mol | McGowan Calculated Property |
| Pc | 1888.72 | kPa | Joback Calculated Property |
| Inp | [2401.00; 2401.00] |
|
|
| Inp | 2401.00 | NIST | |
| Inp | 2401.00 | NIST | |
| Tboil | 842.84 | K | Joback Calculated Property |
| Tc | 1057.61 | K | Joback Calculated Property |
| Tfus | 532.89 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.92; 776.11] | J/mol×K | [842.84; 1057.61] |
|
| Cp,gas | 713.92 | J/mol×K | 842.84 | Joback Calculated Property |
| Cp,gas | 727.04 | J/mol×K | 878.64 | Joback Calculated Property |
| Cp,gas | 739.06 | J/mol×K | 914.43 | Joback Calculated Property |
| Cp,gas | 749.98 | J/mol×K | 950.23 | Joback Calculated Property |
| Cp,gas | 759.79 | J/mol×K | 986.02 | Joback Calculated Property |
| Cp,gas | 768.50 | J/mol×K | 1021.82 | Joback Calculated Property |
| Cp,gas | 776.11 | J/mol×K | 1057.61 | Joback Calculated Property |
| η | [0.0000535; 0.0004036] | Pa×s | [532.89; 842.84] |
|
| η | 0.0004036 | Pa×s | 532.89 | Joback Calculated Property |
| η | 0.0002483 | Pa×s | 584.55 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 636.21 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 687.87 | Joback Calculated Property |
| η | 0.0000869 | Pa×s | 739.52 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 791.18 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 842.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 5-bromo-2-methoxybenzyl isobutyl ester.
Sources
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