- InChI
- InChI=1S/C21H23ClO5/c1-3-4-7-12-26-20(23)17-8-5-6-9-18(17)21(24)27-14-15-10-11-16(22)13-19(15)25-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
- InChI Key
- DATWLYOYGGJGFA-UHFFFAOYSA-N
- Formula
- C21H23ClO5
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCc1cc
c(Cl)cc1OC - Molecular Weight1
- 390.86
- 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° | -262.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 5.053 | Crippen Calculated Property | |
| McVol | 292.220 | ml/mol | McGowan Calculated Property |
| Pc | 1503.48 | kPa | Joback Calculated Property |
| Inp | [2777.00; 2777.00] |
|
|
| Inp | 2777.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Tboil | 960.61 | K | Joback Calculated Property |
| Tc | 1188.92 | K | Joback Calculated Property |
| Tfus | 613.30 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.22; 935.13] | J/mol×K | [960.61; 1188.92] |
|
| Cp,gas | 886.22 | J/mol×K | 960.61 | Joback Calculated Property |
| Cp,gas | 897.99 | J/mol×K | 998.66 | Joback Calculated Property |
| Cp,gas | 908.29 | J/mol×K | 1036.71 | Joback Calculated Property |
| Cp,gas | 917.14 | J/mol×K | 1074.76 | Joback Calculated Property |
| Cp,gas | 924.55 | J/mol×K | 1112.82 | Joback Calculated Property |
| Cp,gas | 930.55 | J/mol×K | 1150.87 | Joback Calculated Property |
| Cp,gas | 935.13 | J/mol×K | 1188.92 | Joback Calculated Property |
| η | [0.0000327; 0.0002194] | Pa×s | [613.30; 960.61] |
|
| η | 0.0002194 | Pa×s | 613.30 | Joback Calculated Property |
| η | 0.0001393 | Pa×s | 671.19 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 729.07 | Joback Calculated Property |
| η | 0.0000686 | Pa×s | 786.95 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 844.84 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 902.72 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 960.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-chloro-2-methoxybenzyl pentyl ester.
Sources
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