- InChI
- InChI=1S/C23H27ClO5/c1-3-4-5-6-9-14-28-22(25)19-10-7-8-11-20(19)23(26)29-16-17-12-13-18(24)15-21(17)27-2/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3
- InChI Key
- FKKGXVMJFKCROB-UHFFFAOYSA-N
- Formula
- C23H27ClO5
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCc1
ccc(Cl)cc1OC - Molecular Weight1
- 418.91
- 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° | -246.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.44 | kJ/mol | Joback Calculated Property |
| log10WS | -7.38 | Crippen Calculated Property | |
| logPoct/wat | 5.833 | Crippen Calculated Property | |
| McVol | 320.400 | ml/mol | McGowan Calculated Property |
| Pc | 1302.35 | kPa | Joback Calculated Property |
| Inp | [2973.00; 2973.00] |
|
|
| Inp | 2973.00 | NIST | |
| Inp | 2973.00 | NIST | |
| Tboil | 1006.37 | K | Joback Calculated Property |
| Tc | 1236.86 | K | Joback Calculated Property |
| Tfus | 635.84 | K | Joback Calculated Property |
| Vc | 1.222 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1003.65; 1050.70] | J/mol×K | [1006.37; 1236.86] |
|
| Cp,gas | 1003.65 | J/mol×K | 1006.37 | Joback Calculated Property |
| Cp,gas | 1015.36 | J/mol×K | 1044.79 | Joback Calculated Property |
| Cp,gas | 1025.49 | J/mol×K | 1083.20 | Joback Calculated Property |
| Cp,gas | 1034.07 | J/mol×K | 1121.62 | Joback Calculated Property |
| Cp,gas | 1041.11 | J/mol×K | 1160.03 | Joback Calculated Property |
| Cp,gas | 1046.65 | J/mol×K | 1198.45 | Joback Calculated Property |
| Cp,gas | 1050.70 | J/mol×K | 1236.86 | Joback Calculated Property |
| η | [0.0000243; 0.0001762] | Pa×s | [635.84; 1006.37] |
|
| η | 0.0001762 | Pa×s | 635.84 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 697.60 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 759.35 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 821.11 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 882.86 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 944.62 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 1006.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-chloro-2-methoxybenzyl heptyl ester.
Sources
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