- InChI
- InChI=1S/C25H31BrO4/c1-2-3-4-5-6-7-12-18-29-24(27)21-14-9-10-15-22(21)25(28)30-19-17-20-13-8-11-16-23(20)26/h8-11,13-16H,2-7,12,17-19H2,1H3
- InChI Key
- VLYHUWWKLUGDEQ-UHFFFAOYSA-N
- Formula
- C25H31BrO4
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)OC
Cc1ccccc1Br - Molecular Weight1
- 475.42
- 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° | -88.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.50 | Crippen Calculated Property | |
| logPoct/wat | 6.756 | Crippen Calculated Property | |
| McVol | 347.970 | ml/mol | McGowan Calculated Property |
| Pc | 1253.03 | kPa | Joback Calculated Property |
| Inp | [3167.00; 3167.00] |
|
|
| Inp | 3167.00 | NIST | |
| Inp | 3167.00 | NIST | |
| Tboil | 1053.46 | K | Joback Calculated Property |
| Tc | 1291.53 | K | Joback Calculated Property |
| Tfus | 653.51 | K | Joback Calculated Property |
| Vc | 1.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1109.36; 1165.52] | J/mol×K | [1053.46; 1291.53] |
|
| Cp,gas | 1109.36 | J/mol×K | 1053.46 | Joback Calculated Property |
| Cp,gas | 1121.95 | J/mol×K | 1093.14 | Joback Calculated Property |
| Cp,gas | 1133.15 | J/mol×K | 1132.82 | Joback Calculated Property |
| Cp,gas | 1143.03 | J/mol×K | 1172.49 | Joback Calculated Property |
| Cp,gas | 1151.67 | J/mol×K | 1212.17 | Joback Calculated Property |
| Cp,gas | 1159.15 | J/mol×K | 1251.85 | Joback Calculated Property |
| Cp,gas | 1165.52 | J/mol×K | 1291.53 | Joback Calculated Property |
| η | [0.0000212; 0.0001770] | Pa×s | [653.51; 1053.46] |
|
| η | 0.0001770 | Pa×s | 653.51 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 720.17 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 786.83 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 853.49 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 920.14 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 986.80 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 1053.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(2-bromophenyl)ethyl nonyl ester.
Sources
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