- InChI
- InChI=1S/C27H35BrO5/c1-3-4-5-6-7-8-9-10-13-18-32-26(29)23-14-11-12-15-24(23)27(30)33-20-21-19-22(28)16-17-25(21)31-2/h11-12,14-17,19H,3-10,13,18,20H2,1-2H3
- InChI Key
- LMLMPDQXBKYDFR-UHFFFAOYSA-N
- Formula
- C27H35BrO5
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCc1cc(Br)ccc1OC - Molecular Weight1
- 519.47
- 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° | -186.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -757.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.39 | kJ/mol | Joback Calculated Property |
| log10WS | -9.54 | Crippen Calculated Property | |
| logPoct/wat | 7.502 | Crippen Calculated Property | |
| McVol | 382.020 | ml/mol | McGowan Calculated Property |
| Pc | 1075.69 | kPa | Joback Calculated Property |
| Inp | [3499.00; 3499.00] |
|
|
| Inp | 3499.00 | NIST | |
| Inp | 3499.00 | NIST | |
| Tboil | 1126.62 | K | Joback Calculated Property |
| Tc | 1380.13 | K | Joback Calculated Property |
| Tfus | 710.80 | K | Joback Calculated Property |
| Vc | 1.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1253.26; 1292.00] | J/mol×K | [1126.62; 1380.13] |
|
| Cp,gas | 1253.26 | J/mol×K | 1126.62 | Joback Calculated Property |
| Cp,gas | 1264.18 | J/mol×K | 1168.87 | Joback Calculated Property |
| Cp,gas | 1273.23 | J/mol×K | 1211.12 | Joback Calculated Property |
| Cp,gas | 1280.48 | J/mol×K | 1253.38 | Joback Calculated Property |
| Cp,gas | 1285.98 | J/mol×K | 1295.63 | Joback Calculated Property |
| Cp,gas | 1289.80 | J/mol×K | 1337.88 | Joback Calculated Property |
| Cp,gas | 1292.00 | J/mol×K | 1380.13 | Joback Calculated Property |
| η | [0.0000117; 0.0000890] | Pa×s | [710.80; 1126.62] |
|
| η | 0.0000890 | Pa×s | 710.80 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 780.10 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 849.41 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 918.71 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 988.01 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 1057.32 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 1126.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl undecyl ester.
Sources
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