- InChI
- InChI=1S/C17H19BrO5/c1-4-6-13(5-2)22-16(19)9-10-17(20)23-14-8-7-12(18)11-15(14)21-3/h7-8,11,13H,5,9-10H2,1-3H3
- InChI Key
- LKGHZLZOHAVYIW-UHFFFAOYSA-N
- Formula
- C17H19BrO5
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(B
r)cc1OC - Molecular Weight1
- 383.23
- 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° | -172.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 3.488 | Crippen Calculated Property | |
| McVol | 256.280 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [2527.00; 2527.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 874.72 | K | Joback Calculated Property |
| Tc | 1103.75 | K | Joback Calculated Property |
| Tfus | 650.26 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.15; 774.17] | J/mol×K | [874.72; 1103.75] |
|
| Cp,gas | 717.15 | J/mol×K | 874.72 | Joback Calculated Property |
| Cp,gas | 729.71 | J/mol×K | 912.89 | Joback Calculated Property |
| Cp,gas | 741.04 | J/mol×K | 951.06 | Joback Calculated Property |
| Cp,gas | 751.16 | J/mol×K | 989.23 | Joback Calculated Property |
| Cp,gas | 760.05 | J/mol×K | 1027.40 | Joback Calculated Property |
| Cp,gas | 767.73 | J/mol×K | 1065.57 | Joback Calculated Property |
| Cp,gas | 774.17 | J/mol×K | 1103.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester.
Sources
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