- InChI
- InChI=1S/C16H27ClO4/c1-2-3-13-20-15(18)10-11-16(19)21-14-9-7-5-4-6-8-12-17/h10-11H,2-9,12-14H2,1H3/b11-10+
- InChI Key
- PARYJXJJOSFHMQ-ZHACJKMWSA-N
- Formula
- C16H27ClO4
- SMILES
- CCCCOC(=O)C=CC(=O)OCCCCCCCCCl
- Molecular Weight1
- 318.84
- 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 | 0.9225 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.008 | Crippen Calculated Property | |
| McVol | 259.120 | ml/mol | McGowan Calculated Property |
| Pc | 1427.22 | kPa | Joback Calculated Property |
| Inp | [2297.00; 2297.00] |
|
|
| Inp | 2297.00 | NIST | |
| Inp | 2297.00 | NIST | |
| Tboil | 592.74 | K | Relay (1.0) Calculated Property |
| Tc | 777.38 | K | Relay (1.0) Calculated Property |
| Tfus | 283.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.959 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.46; 819.45] | J/mol×K | [759.65; 945.22] |
|
| Cp,gas | 740.46 | J/mol×K | 759.65 | Joback Calculated Property |
| Cp,gas | 755.65 | J/mol×K | 790.58 | Joback Calculated Property |
| Cp,gas | 770.00 | J/mol×K | 821.51 | Joback Calculated Property |
| Cp,gas | 783.54 | J/mol×K | 852.44 | Joback Calculated Property |
| Cp,gas | 796.28 | J/mol×K | 883.37 | Joback Calculated Property |
| Cp,gas | 808.24 | J/mol×K | 914.29 | Joback Calculated Property |
| Cp,gas | 819.45 | J/mol×K | 945.22 | Joback Calculated Property |
| η | [0.0000705; 0.0009436] | Pa×s | [439.24; 759.65] |
|
| η | 0.0009436 | Pa×s | 439.24 | Joback Calculated Property |
| η | 0.0004845 | Pa×s | 492.64 | Joback Calculated Property |
| η | 0.0002834 | Pa×s | 546.04 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 599.44 | Joback Calculated Property |
| η | 0.0001262 | Pa×s | 652.85 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 706.25 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 759.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 8-chlorooctyl ester.
Sources
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