- InChI
- InChI=1S/C26H41ClO4/c1-3-4-5-6-9-12-15-20-30-25(28)16-13-10-7-8-11-14-17-26(29)31-23-18-19-24(27)22(2)21-23/h18-19,21H,3-17,20H2,1-2H3
- InChI Key
- WRRQPDAXIXTCSF-UHFFFAOYSA-N
- Formula
- C26H41ClO4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1ccc(Cl)c(C)c1 - 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 | 1.2259 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.968 | Crippen Calculated Property | |
| McVol | 380.560 | ml/mol | McGowan Calculated Property |
| Pc | 886.83 | kPa | Joback Calculated Property |
| Inp | [3398.00; 3398.00] |
|
|
| Inp | 3398.00 | NIST | |
| Inp | 3398.00 | NIST | |
| Tboil | 686.75 | K | Relay (1.0) Calculated Property |
| Tc | 896.73 | K | Relay (1.0) Calculated Property |
| Tfus | 326.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1268.95; 1342.90] | J/mol×K | [1020.93; 1251.86] |
|
| Cp,gas | 1268.95 | J/mol×K | 1020.93 | Joback Calculated Property |
| Cp,gas | 1285.21 | J/mol×K | 1059.42 | Joback Calculated Property |
| Cp,gas | 1299.83 | J/mol×K | 1097.91 | Joback Calculated Property |
| Cp,gas | 1312.85 | J/mol×K | 1136.39 | Joback Calculated Property |
| Cp,gas | 1324.34 | J/mol×K | 1174.88 | Joback Calculated Property |
| Cp,gas | 1334.34 | J/mol×K | 1213.37 | Joback Calculated Property |
| Cp,gas | 1342.90 | J/mol×K | 1251.86 | Joback Calculated Property |
| η | [0.0000196; 0.0002135] | Pa×s | [608.48; 1020.93] |
|
| η | 0.0002135 | Pa×s | 608.48 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 677.22 | Joback Calculated Property |
| η | 0.0000718 | Pa×s | 745.96 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 814.71 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 883.45 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 952.19 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 1020.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-chloro-3-methylphenyl nonyl ester.
Sources
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