- InChI
- InChI=1S/C25H31BrO5/c1-3-4-5-6-7-8-11-16-30-24(27)21-12-9-10-13-22(21)25(28)31-18-19-17-20(26)14-15-23(19)29-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
- InChI Key
- AGRCELSYDNDJMQ-UHFFFAOYSA-N
- Formula
- C25H31BrO5
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)OC
c1cc(Br)ccc1OC - Molecular Weight1
- 491.42
- 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° | -202.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.94 | kJ/mol | Joback Calculated Property |
| log10WS | -8.70 | Crippen Calculated Property | |
| logPoct/wat | 6.722 | Crippen Calculated Property | |
| McVol | 353.840 | ml/mol | McGowan Calculated Property |
| Pc | 1225.12 | kPa | Joback Calculated Property |
| Inp | [3298.00; 3298.00] |
|
|
| Inp | 3298.00 | NIST | |
| Inp | 3298.00 | NIST | |
| Tboil | 1080.86 | K | Joback Calculated Property |
| Tc | 1323.67 | K | Joback Calculated Property |
| Tfus | 688.26 | K | Joback Calculated Property |
| Vc | 1.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1132.76; 1174.45] | J/mol×K | [1080.86; 1323.67] |
|
| Cp,gas | 1132.76 | J/mol×K | 1080.86 | Joback Calculated Property |
| Cp,gas | 1143.77 | J/mol×K | 1121.33 | Joback Calculated Property |
| Cp,gas | 1153.09 | J/mol×K | 1161.80 | Joback Calculated Property |
| Cp,gas | 1160.78 | J/mol×K | 1202.27 | Joback Calculated Property |
| Cp,gas | 1166.87 | J/mol×K | 1242.73 | Joback Calculated Property |
| Cp,gas | 1171.41 | J/mol×K | 1283.20 | Joback Calculated Property |
| Cp,gas | 1174.45 | J/mol×K | 1323.67 | Joback Calculated Property |
| η | [0.0000160; 0.0001142] | Pa×s | [688.26; 1080.86] |
|
| η | 0.0001142 | Pa×s | 688.26 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 753.69 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 819.13 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 884.56 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 949.99 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 1015.43 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 1080.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl nonyl ester.
Sources
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