- InChI
- InChI=1S/C21H31BrO4/c1-3-4-5-6-7-8-9-15-25-20(23)13-14-21(24)26-17(2)18-11-10-12-19(22)16-18/h10-12,16-17H,3-9,13-15H2,1-2H3
- InChI Key
- XOBKVZHQVXXWLF-UHFFFAOYSA-N
- Formula
- C21H31BrO4
- SMILES
-
CCCCCCCCCOC(=O)CCC(=O)OC(C)c1c
ccc(Br)c1 - Molecular Weight1
- 427.37
- 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° | -227.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 6.127 | Crippen Calculated Property | |
| McVol | 315.370 | ml/mol | McGowan Calculated Property |
| Pc | 1323.28 | kPa | Joback Calculated Property |
| Inp | [2730.00; 2730.00] |
|
|
| Inp | 2730.00 | NIST | |
| Inp | 2730.00 | NIST | |
| Tboil | 929.84 | K | Joback Calculated Property |
| Tc | 1144.23 | K | Joback Calculated Property |
| Tfus | 554.49 | K | Joback Calculated Property |
| Vc | 1.208 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.10; 1048.83] | J/mol×K | [929.84; 1144.23] |
|
| Cp,gas | 978.10 | J/mol×K | 929.84 | Joback Calculated Property |
| Cp,gas | 992.81 | J/mol×K | 965.57 | Joback Calculated Property |
| Cp,gas | 1006.29 | J/mol×K | 1001.30 | Joback Calculated Property |
| Cp,gas | 1018.60 | J/mol×K | 1037.04 | Joback Calculated Property |
| Cp,gas | 1029.76 | J/mol×K | 1072.77 | Joback Calculated Property |
| Cp,gas | 1039.83 | J/mol×K | 1108.50 | Joback Calculated Property |
| Cp,gas | 1048.83 | J/mol×K | 1144.23 | Joback Calculated Property |
| η | [0.0000337; 0.0003800] | Pa×s | [554.49; 929.84] |
|
| η | 0.0003800 | Pa×s | 554.49 | Joback Calculated Property |
| η | 0.0002067 | Pa×s | 617.05 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 679.61 | Joback Calculated Property |
| η | 0.0000833 | Pa×s | 742.16 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 804.72 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 867.28 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 929.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 1-(3-bromophenyl)ethyl nonyl ester.
Sources
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