- InChI
- InChI=1S/C22H25BrO5/c1-3-4-5-8-13-27-21(24)18-9-6-7-10-19(18)22(25)28-15-16-14-17(23)11-12-20(16)26-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3
- InChI Key
- YUYLWQZNHNXRAO-UHFFFAOYSA-N
- Formula
- C22H25BrO5
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCc1c
c(Br)ccc1OC - Molecular Weight1
- 449.33
- 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° | -228.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.26 | kJ/mol | Joback Calculated Property |
| log10WS | -7.44 | Crippen Calculated Property | |
| logPoct/wat | 5.552 | Crippen Calculated Property | |
| McVol | 311.570 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| Inp | [2997.00; 2997.00] |
|
|
| Inp | 2997.00 | NIST | |
| Inp | 2997.00 | NIST | |
| Tboil | 1012.22 | K | Joback Calculated Property |
| Tc | 1247.22 | K | Joback Calculated Property |
| Tfus | 654.45 | K | Joback Calculated Property |
| Vc | 1.179 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [954.54; 999.32] | J/mol×K | [1012.22; 1247.22] |
|
| Cp,gas | 954.54 | J/mol×K | 1012.22 | Joback Calculated Property |
| Cp,gas | 965.65 | J/mol×K | 1051.39 | Joback Calculated Property |
| Cp,gas | 975.26 | J/mol×K | 1090.55 | Joback Calculated Property |
| Cp,gas | 983.41 | J/mol×K | 1129.72 | Joback Calculated Property |
| Cp,gas | 990.11 | J/mol×K | 1168.89 | Joback Calculated Property |
| Cp,gas | 995.41 | J/mol×K | 1208.06 | Joback Calculated Property |
| Cp,gas | 999.32 | J/mol×K | 1247.22 | Joback Calculated Property |
| η | [0.0000254; 0.0001629] | Pa×s | [654.45; 1012.22] |
|
| η | 0.0001629 | Pa×s | 654.45 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 714.08 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 773.71 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 833.34 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 892.96 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 952.59 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 1012.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl hexyl ester.
Sources
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