- InChI
- InChI=1S/C16H19BrO4/c1-4-14(11(2)3)21-16(19)10-9-15(18)20-13-7-5-12(17)6-8-13/h5-11,14H,4H2,1-3H3/b10-9+
- InChI Key
- PQSLNALBKWVLOB-MDZDMXLPSA-N
- Formula
- C16H19BrO4
- SMILES
-
CCC(OC(=O)C=CC(=O)Oc1ccc(Br)cc
1)C(C)C - Molecular Weight1
- 355.22
- 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° | -191.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.888 | Crippen Calculated Property | |
| McVol | 240.620 | ml/mol | McGowan Calculated Property |
| Pc | 2049.31 | kPa | Joback Calculated Property |
| Inp | [2244.00; 2244.00] |
|
|
| Inp | 2244.00 | NIST | |
| Inp | 2244.00 | NIST | |
| Tboil | 819.16 | K | Joback Calculated Property |
| Tc | 1043.54 | K | Joback Calculated Property |
| Tfus | 478.06 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.43; 727.90] | J/mol×K | [819.16; 1043.54] |
|
| Cp,gas | 662.43 | J/mol×K | 819.16 | Joback Calculated Property |
| Cp,gas | 675.80 | J/mol×K | 856.56 | Joback Calculated Property |
| Cp,gas | 688.14 | J/mol×K | 893.95 | Joback Calculated Property |
| Cp,gas | 699.47 | J/mol×K | 931.35 | Joback Calculated Property |
| Cp,gas | 709.85 | J/mol×K | 968.75 | Joback Calculated Property |
| Cp,gas | 719.31 | J/mol×K | 1006.15 | Joback Calculated Property |
| Cp,gas | 727.90 | J/mol×K | 1043.54 | Joback Calculated Property |
| η | [0.0000564; 0.0006886] | Pa×s | [478.06; 819.16] |
|
| η | 0.0006886 | Pa×s | 478.06 | Joback Calculated Property |
| η | 0.0003636 | Pa×s | 534.91 | Joback Calculated Property |
| η | 0.0002171 | Pa×s | 591.76 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 648.61 | Joback Calculated Property |
| η | 0.0000993 | Pa×s | 705.46 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 762.31 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 819.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl 2-methylpent-3-yl ester.
Sources
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