- InChI
- InChI=1S/C19H27BrO4/c1-15(2)14-24-19(22)17-11-7-6-10-16(17)18(21)23-13-9-5-3-4-8-12-20/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3
- InChI Key
- KKFDWYKZRSDENJ-UHFFFAOYSA-N
- Formula
- C19H27BrO4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCCCC
CCCBr - Molecular Weight1
- 399.32
- 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° | -244.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 5.002 | Crippen Calculated Property | |
| McVol | 287.190 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [2769.00; 2769.00] |
|
|
| Inp | 2769.00 | NIST | |
| Inp | 2769.00 | NIST | |
| Tboil | 884.08 | K | Joback Calculated Property |
| Tc | 1096.44 | K | Joback Calculated Property |
| Tfus | 531.95 | K | Joback Calculated Property |
| Vc | 1.095 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [859.87; 929.47] | J/mol×K | [884.08; 1096.44] |
|
| Cp,gas | 859.87 | J/mol×K | 884.08 | Joback Calculated Property |
| Cp,gas | 874.21 | J/mol×K | 919.47 | Joback Calculated Property |
| Cp,gas | 887.40 | J/mol×K | 954.87 | Joback Calculated Property |
| Cp,gas | 899.50 | J/mol×K | 990.26 | Joback Calculated Property |
| Cp,gas | 910.52 | J/mol×K | 1025.65 | Joback Calculated Property |
| Cp,gas | 920.50 | J/mol×K | 1061.04 | Joback Calculated Property |
| Cp,gas | 929.47 | J/mol×K | 1096.44 | Joback Calculated Property |
| η | [0.0000456; 0.0004785] | Pa×s | [531.95; 884.08] |
|
| η | 0.0004785 | Pa×s | 531.95 | Joback Calculated Property |
| η | 0.0002661 | Pa×s | 590.64 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 649.33 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 708.01 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 766.70 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 825.39 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 884.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 7-bromoheptyl isobutyl ester.
Sources
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