- InChI
- InChI=1S/C27H35ClO4/c1-3-4-5-6-7-8-9-10-11-14-19-31-26(29)23-15-12-13-16-24(23)27(30)32-25-18-17-22(28)20-21(25)2/h12-13,15-18,20H,3-11,14,19H2,1-2H3
- InChI Key
- BUABLNGWBIWGDH-UHFFFAOYSA-N
- Formula
- C27H35ClO4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)Oc1ccc(Cl)cc1C - Molecular Weight1
- 459.02
- 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° | -107.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.93 | kJ/mol | Joback Calculated Property |
| log10WS | -9.57 | Crippen Calculated Property | |
| logPoct/wat | 7.945 | Crippen Calculated Property | |
| McVol | 370.890 | ml/mol | McGowan Calculated Property |
| Pc | 1015.53 | kPa | Joback Calculated Property |
| Inp | [3333.00; 3333.00] |
|
|
| Inp | 3333.00 | NIST | |
| Inp | 3333.00 | NIST | |
| Tboil | 1075.47 | K | Joback Calculated Property |
| Tc | 1316.69 | K | Joback Calculated Property |
| Tfus | 658.69 | K | Joback Calculated Property |
| Vc | 1.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1218.40; 1272.94] | J/mol×K | [1075.47; 1316.69] |
|
| Cp,gas | 1218.40 | J/mol×K | 1075.47 | Joback Calculated Property |
| Cp,gas | 1231.36 | J/mol×K | 1115.67 | Joback Calculated Property |
| Cp,gas | 1242.68 | J/mol×K | 1155.88 | Joback Calculated Property |
| Cp,gas | 1252.44 | J/mol×K | 1196.08 | Joback Calculated Property |
| Cp,gas | 1260.69 | J/mol×K | 1236.28 | Joback Calculated Property |
| Cp,gas | 1267.50 | J/mol×K | 1276.48 | Joback Calculated Property |
| Cp,gas | 1272.94 | J/mol×K | 1316.69 | Joback Calculated Property |
| η | [0.0000180; 0.0001565] | Pa×s | [658.69; 1075.47] |
|
| η | 0.0001565 | Pa×s | 658.69 | Joback Calculated Property |
| η | 0.0000919 | Pa×s | 728.15 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 797.62 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 867.08 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 936.54 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 1006.01 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 1075.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-chloro-2-methylphenyl dodecyl ester.
Sources
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