- InChI
- InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-14-19-29-24(27)15-12-11-13-16-25(28)30-22-17-18-23(26)21(2)20-22/h17-18,20H,3-16,19H2,1-2H3
- InChI Key
- RKDUZNSEPKAPJE-UHFFFAOYSA-N
- Formula
- C25H39ClO4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCC(=O)Oc1
ccc(Cl)c(C)c1 - Molecular Weight1
- 439.03
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1899 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -993.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.578 | Crippen Calculated Property | |
| McVol | 366.470 | ml/mol | McGowan Calculated Property |
| Pc | 939.79 | kPa | Joback Calculated Property |
| Inp | [3129.00; 3129.00] |
|
|
| Inp | 3129.00 | NIST | |
| Inp | 3129.00 | NIST | |
| Tboil | 680.23 | K | Relay (1.0) Calculated Property |
| Tc | 890.51 | K | Relay (1.0) Calculated Property |
| Tfus | 324.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1206.93; 1280.79] | J/mol×K | [998.05; 1222.32] |
|
| Cp,gas | 1206.93 | J/mol×K | 998.05 | Joback Calculated Property |
| Cp,gas | 1222.93 | J/mol×K | 1035.43 | Joback Calculated Property |
| Cp,gas | 1237.39 | J/mol×K | 1072.81 | Joback Calculated Property |
| Cp,gas | 1250.36 | J/mol×K | 1110.18 | Joback Calculated Property |
| Cp,gas | 1261.89 | J/mol×K | 1147.56 | Joback Calculated Property |
| Cp,gas | 1272.01 | J/mol×K | 1184.94 | Joback Calculated Property |
| Cp,gas | 1280.79 | J/mol×K | 1222.32 | Joback Calculated Property |
| η | [0.0000229; 0.0002411] | Pa×s | [597.21; 998.05] |
|
| η | 0.0002411 | Pa×s | 597.21 | Joback Calculated Property |
| η | 0.0001336 | Pa×s | 664.02 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 730.82 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 797.63 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 864.44 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 931.24 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 998.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl undecyl ester.
Sources
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