- InChI
- InChI=1S/C16H17BrO4/c1-3-5-13(4-2)20-15(18)10-11-16(19)21-14-8-6-12(17)7-9-14/h6-9,13H,4,10-11H2,1-2H3
- InChI Key
- IMRSSGLAQWGJFY-UHFFFAOYSA-N
- Formula
- C16H17BrO4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(B
r)cc1 - Molecular Weight1
- 353.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -66.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 3.480 | Crippen Calculated Property | |
| McVol | 236.320 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | [2331.00; 2331.00] |
|
|
| Inp | 2331.00 | NIST | |
| Inp | 2331.00 | NIST | |
| Tboil | 824.44 | K | Joback Calculated Property |
| Tc | 1057.52 | K | Joback Calculated Property |
| Tfus | 604.24 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.63; 698.50] | J/mol×K | [824.44; 1057.52] |
|
| Cp,gas | 636.63 | J/mol×K | 824.44 | Joback Calculated Property |
| Cp,gas | 649.63 | J/mol×K | 863.29 | Joback Calculated Property |
| Cp,gas | 661.53 | J/mol×K | 902.13 | Joback Calculated Property |
| Cp,gas | 672.34 | J/mol×K | 940.98 | Joback Calculated Property |
| Cp,gas | 682.09 | J/mol×K | 979.83 | Joback Calculated Property |
| Cp,gas | 690.80 | J/mol×K | 1018.68 | Joback Calculated Property |
| Cp,gas | 698.50 | J/mol×K | 1057.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester.
Sources
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