- InChI
- InChI=1S/C17H21BrO4/c1-3-4-5-6-13(2)21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3/b12-11+
- InChI Key
- JHJKUUXLWREBEE-VAWYXSNFSA-N
- Formula
- C17H21BrO4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)Oc1ccc(
Br)cc1 - Molecular Weight1
- 369.25
- 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° | -180.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 4.423 | Crippen Calculated Property | |
| McVol | 254.710 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | [2381.00; 2381.00] |
|
|
| Inp | 2381.00 | NIST | |
| Inp | 2381.00 | NIST | |
| Tboil | 842.48 | K | Joback Calculated Property |
| Tc | 1061.54 | K | Joback Calculated Property |
| Tfus | 504.33 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.79; 784.21] | J/mol×K | [842.48; 1061.54] |
|
| Cp,gas | 717.79 | J/mol×K | 842.48 | Joback Calculated Property |
| Cp,gas | 731.26 | J/mol×K | 878.99 | Joback Calculated Property |
| Cp,gas | 743.72 | J/mol×K | 915.50 | Joback Calculated Property |
| Cp,gas | 755.20 | J/mol×K | 952.01 | Joback Calculated Property |
| Cp,gas | 765.74 | J/mol×K | 988.52 | Joback Calculated Property |
| Cp,gas | 775.40 | J/mol×K | 1025.03 | Joback Calculated Property |
| Cp,gas | 784.21 | J/mol×K | 1061.54 | Joback Calculated Property |
| η | [0.0000533; 0.0005485] | Pa×s | [504.33; 842.48] |
|
| η | 0.0005485 | Pa×s | 504.33 | Joback Calculated Property |
| η | 0.0003060 | Pa×s | 560.69 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 617.05 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 673.40 | Joback Calculated Property |
| η | 0.0000912 | Pa×s | 729.76 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 786.12 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 842.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl hept-2-yl ester.
Sources
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