- InChI
- InChI=1S/C26H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-15-22-30-25(28)16-13-12-14-17-26(29)31-24-20-18-23(27)19-21-24/h18-21H,2-17,22H2,1H3
- InChI Key
- DQDPOPFDEJFVFB-UHFFFAOYSA-N
- Formula
- C26H41ClO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
c1ccc(Cl)cc1 - Molecular Weight1
- 453.05
- 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 | 1.2341 | Relay (1.0) Calculated Property | |
| ΔfG° | -208.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.050 | Crippen Calculated Property | |
| McVol | 380.560 | ml/mol | McGowan Calculated Property |
| Pc | 894.80 | kPa | Joback Calculated Property |
| Inp | [3300.00; 3300.00] |
|
|
| Inp | 3300.00 | NIST | |
| Inp | 3300.00 | NIST | |
| Tboil | 690.38 | K | Relay (1.0) Calculated Property |
| Tc | 890.83 | K | Relay (1.0) Calculated Property |
| Tfus | 323.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1269.77; 1345.50] | J/mol×K | [1015.95; 1245.61] |
|
| Cp,gas | 1269.77 | J/mol×K | 1015.95 | Joback Calculated Property |
| Cp,gas | 1286.19 | J/mol×K | 1054.23 | Joback Calculated Property |
| Cp,gas | 1301.01 | J/mol×K | 1092.50 | Joback Calculated Property |
| Cp,gas | 1314.29 | J/mol×K | 1130.78 | Joback Calculated Property |
| Cp,gas | 1326.09 | J/mol×K | 1169.06 | Joback Calculated Property |
| Cp,gas | 1336.48 | J/mol×K | 1207.34 | Joback Calculated Property |
| Cp,gas | 1345.50 | J/mol×K | 1245.61 | Joback Calculated Property |
| η | [0.0000191; 0.0002398] | Pa×s | [595.96; 1015.95] |
|
| η | 0.0002398 | Pa×s | 595.96 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 665.96 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 735.96 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 805.95 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 875.95 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 945.95 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 1015.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-chlorophenyl tridecyl ester.
Sources
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