- InChI
- InChI=1S/C22H39ClO4/c1-2-3-4-5-6-8-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+
- InChI Key
- LZFVNKBKTMUJRA-WUKNDPDISA-N
- Formula
- C22H39ClO4
- SMILES
-
CCCCCCCCCCOC(=O)C=CC(=O)OCCCCC
CCCCl - Molecular Weight1
- 403.00
- 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 | 1.1349 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1042.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.349 | Crippen Calculated Property | |
| McVol | 343.660 | ml/mol | McGowan Calculated Property |
| Pc | 962.67 | kPa | Joback Calculated Property |
| Inp | [2928.00; 2928.00] |
|
|
| Inp | 2928.00 | NIST | |
| Inp | 2928.00 | NIST | |
| Tboil | 634.64 | K | Relay (1.0) Calculated Property |
| Tc | 826.23 | K | Relay (1.0) Calculated Property |
| Tfus | 310.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.289 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1096.35; 1185.83] | J/mol×K | [896.93; 1098.10] |
|
| Cp,gas | 1096.35 | J/mol×K | 896.93 | Joback Calculated Property |
| Cp,gas | 1114.04 | J/mol×K | 930.46 | Joback Calculated Property |
| Cp,gas | 1130.56 | J/mol×K | 963.99 | Joback Calculated Property |
| Cp,gas | 1145.96 | J/mol×K | 997.51 | Joback Calculated Property |
| Cp,gas | 1160.28 | J/mol×K | 1031.04 | Joback Calculated Property |
| Cp,gas | 1173.55 | J/mol×K | 1064.57 | Joback Calculated Property |
| Cp,gas | 1185.83 | J/mol×K | 1098.10 | Joback Calculated Property |
| η | [0.0000294; 0.0004850] | Pa×s | [506.86; 896.93] |
|
| η | 0.0004850 | Pa×s | 506.86 | Joback Calculated Property |
| η | 0.0002331 | Pa×s | 571.87 | Joback Calculated Property |
| η | 0.0001301 | Pa×s | 636.88 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 701.89 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 766.91 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 831.92 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 896.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 8-chlorooctyl decyl ester.
Sources
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