- InChI
- InChI=1S/C24H37BrO5/c1-3-4-5-6-7-8-9-10-11-12-17-29-23(26)15-16-24(27)30-19-20-18-21(25)13-14-22(20)28-2/h13-14,18H,3-12,15-17,19H2,1-2H3
- InChI Key
- PTXAQOOHEUNUKR-UHFFFAOYSA-N
- Formula
- C24H37BrO5
- SMILES
-
CCCCCCCCCCCCOC(=O)CCC(=O)OCc1c
c(Br)ccc1OC - Molecular Weight1
- 485.45
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1768 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1017.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.745 | Crippen Calculated Property | |
| McVol | 363.510 | ml/mol | McGowan Calculated Property |
| Pc | 1056.20 | kPa | Joback Calculated Property |
| Inp | [3249.00; 3249.00] |
|
|
| Inp | 3249.00 | NIST | |
| Inp | 3249.00 | NIST | |
| Tboil | 697.02 | K | Relay (1.0) Calculated Property |
| Tc | 895.39 | K | Relay (1.0) Calculated Property |
| Tfus | 324.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1186.27; 1248.21] | J/mol×K | [1026.32; 1256.97] |
|
| Cp,gas | 1186.27 | J/mol×K | 1026.32 | Joback Calculated Property |
| Cp,gas | 1200.58 | J/mol×K | 1064.76 | Joback Calculated Property |
| Cp,gas | 1213.25 | J/mol×K | 1103.20 | Joback Calculated Property |
| Cp,gas | 1224.31 | J/mol×K | 1141.65 | Joback Calculated Property |
| Cp,gas | 1233.80 | J/mol×K | 1180.09 | Joback Calculated Property |
| Cp,gas | 1241.75 | J/mol×K | 1218.53 | Joback Calculated Property |
| Cp,gas | 1248.21 | J/mol×K | 1256.97 | Joback Calculated Property |
| η | [0.0000175; 0.0001515] | Pa×s | [638.05; 1026.32] |
|
| η | 0.0001515 | Pa×s | 638.05 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 702.76 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 767.47 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 832.18 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 896.90 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 961.61 | Joback Calculated Property |
| η | 0.0000175 | Pa×s | 1026.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 5-bromo-2-methoxybenzyl dodecyl ester.
Sources
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