- InChI
- InChI=1S/C25H35BrO5/c1-3-4-5-6-7-8-9-10-11-12-13-19-30-24(27)15-14-16-25(28)31-22-18-17-21(26)20-23(22)29-2/h17-18,20H,3-11,14-16,19H2,1-2H3
- InChI Key
- AREHECRSKFGMPR-UHFFFAOYSA-N
- Formula
- C25H35BrO5
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc
1ccc(Br)cc1OC - Molecular Weight1
- 495.45
- 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° | -102.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.15 | kJ/mol | Joback Calculated Property |
| log10WS | -8.42 | Crippen Calculated Property | |
| logPoct/wat | 6.611 | Crippen Calculated Property | |
| McVol | 369.000 | ml/mol | McGowan Calculated Property |
| Pc | 1101.54 | kPa | Joback Calculated Property |
| Inp | 3369.00 | NIST | |
| Tboil | 1058.20 | K | Joback Calculated Property |
| Tc | 1295.54 | K | Joback Calculated Property |
| Tfus | 755.42 | K | Joback Calculated Property |
| Vc | 1.417 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.37; 1242.37] | J/mol×K | [1058.20; 1295.54] | 
|
| Cp,gas | 1188.37 | J/mol×K | 1058.20 | Joback Calculated Property |
| Cp,gas | 1201.46 | J/mol×K | 1097.76 | Joback Calculated Property |
| Cp,gas | 1212.87 | J/mol×K | 1137.31 | Joback Calculated Property |
| Cp,gas | 1222.63 | J/mol×K | 1176.87 | Joback Calculated Property |
| Cp,gas | 1230.78 | J/mol×K | 1216.43 | Joback Calculated Property |
| Cp,gas | 1237.35 | J/mol×K | 1255.99 | Joback Calculated Property |
| Cp,gas | 1242.37 | J/mol×K | 1295.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 4-bromo-2-methoxyphenyl ester.
Sources
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