- InChI
- InChI=1S/C19H27BrO4/c1-2-3-14-23-18(21)16-11-7-8-12-17(16)19(22)24-15-10-6-4-5-9-13-20/h7-8,11-12H,2-6,9-10,13-15H2,1H3
- InChI Key
- PDJZGYHXULYMTB-UHFFFAOYSA-N
- Formula
- C19H27BrO4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCCCCCC
CBr - 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° | -241.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.57 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 5.146 | Crippen Calculated Property | |
| McVol | 287.190 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Inp | [2868.00; 2868.00] |
|
|
| Inp | 2868.00 | NIST | |
| Inp | 2868.00 | NIST | |
| Tboil | 884.52 | K | Joback Calculated Property |
| Tc | 1095.03 | K | Joback Calculated Property |
| Tfus | 546.95 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [859.35; 928.82] | J/mol×K | [884.52; 1095.03] |
|
| Cp,gas | 859.35 | J/mol×K | 884.52 | Joback Calculated Property |
| Cp,gas | 873.59 | J/mol×K | 919.60 | Joback Calculated Property |
| Cp,gas | 886.72 | J/mol×K | 954.69 | Joback Calculated Property |
| Cp,gas | 898.78 | J/mol×K | 989.77 | Joback Calculated Property |
| Cp,gas | 909.80 | J/mol×K | 1024.86 | Joback Calculated Property |
| Cp,gas | 919.80 | J/mol×K | 1059.94 | Joback Calculated Property |
| Cp,gas | 928.82 | J/mol×K | 1095.03 | Joback Calculated Property |
| η | [0.0000498; 0.0004342] | Pa×s | [546.95; 884.52] |
|
| η | 0.0004342 | Pa×s | 546.95 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 603.21 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 659.47 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 715.73 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 772.00 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 828.26 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 884.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 7-bromoheptyl butyl ester.
Sources
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