- InChI
- InChI=1S/C25H31BrO5/c1-2-3-4-5-6-7-10-17-30-24(27)22-11-8-9-12-23(22)25(28)31-19-18-29-21-15-13-20(26)14-16-21/h8-9,11-16H,2-7,10,17-19H2,1H3
- InChI Key
- MZHFXCRPIWGTMO-UHFFFAOYSA-N
- Formula
- C25H31BrO5
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)OC
COc1ccc(Br)cc1 - 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° | -193.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.28 | kJ/mol | Joback Calculated Property |
| log10WS | -8.24 | Crippen Calculated Property | |
| logPoct/wat | 6.592 | Crippen Calculated Property | |
| McVol | 353.840 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | [3335.00; 3335.00] |
|
|
| Inp | 3335.00 | NIST | |
| Inp | 3335.00 | NIST | |
| Tboil | 1075.88 | K | Joback Calculated Property |
| Tc | 1317.64 | K | Joback Calculated Property |
| Tfus | 675.74 | K | Joback Calculated Property |
| Vc | 1.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1134.39; 1178.73] | J/mol×K | [1075.88; 1317.64] |
|
| Cp,gas | 1134.39 | J/mol×K | 1075.88 | Joback Calculated Property |
| Cp,gas | 1145.66 | J/mol×K | 1116.17 | Joback Calculated Property |
| Cp,gas | 1155.30 | J/mol×K | 1156.47 | Joback Calculated Property |
| Cp,gas | 1163.37 | J/mol×K | 1196.76 | Joback Calculated Property |
| Cp,gas | 1169.93 | J/mol×K | 1237.05 | Joback Calculated Property |
| Cp,gas | 1175.04 | J/mol×K | 1277.35 | Joback Calculated Property |
| Cp,gas | 1178.73 | J/mol×K | 1317.64 | Joback Calculated Property |
| η | [0.0000155; 0.0001240] | Pa×s | [675.74; 1075.88] |
|
| η | 0.0001240 | Pa×s | 675.74 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 742.43 | Joback Calculated Property |
| η | 0.0000494 | Pa×s | 809.12 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 875.81 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 942.50 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 1009.19 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 1075.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl nonyl ester.
Sources
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