- InChI
- InChI=1S/C16H27ClO4/c1-14(2)13-21-16(19)10-9-15(18)20-12-8-6-4-3-5-7-11-17/h9-10,14H,3-8,11-13H2,1-2H3/b10-9+
- InChI Key
- MRHRYQMLUYULBY-MDZDMXLPSA-N
- Formula
- C16H27ClO4
- SMILES
-
CC(C)COC(=O)C=CC(=O)OCCCCCCCCC
l - Molecular Weight1
- 318.84
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -318.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.864 | Crippen Calculated Property | |
| McVol | 259.120 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | [2249.00; 2249.00] |
|
|
| Inp | 2249.00 | NIST | |
| Inp | 2249.00 | NIST | |
| Tboil | 759.21 | K | Joback Calculated Property |
| Tc | 946.71 | K | Joback Calculated Property |
| Tfus | 424.24 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.99; 820.60] | J/mol×K | [759.21; 946.71] |
|
| Cp,gas | 740.99 | J/mol×K | 759.21 | Joback Calculated Property |
| Cp,gas | 756.34 | J/mol×K | 790.46 | Joback Calculated Property |
| Cp,gas | 770.83 | J/mol×K | 821.71 | Joback Calculated Property |
| Cp,gas | 784.49 | J/mol×K | 852.96 | Joback Calculated Property |
| Cp,gas | 797.32 | J/mol×K | 884.21 | Joback Calculated Property |
| Cp,gas | 809.35 | J/mol×K | 915.46 | Joback Calculated Property |
| Cp,gas | 820.60 | J/mol×K | 946.71 | Joback Calculated Property |
| η | [0.0000650; 0.0011214] | Pa×s | [424.24; 759.21] |
|
| η | 0.0011214 | Pa×s | 424.24 | Joback Calculated Property |
| η | 0.0005293 | Pa×s | 480.07 | Joback Calculated Property |
| η | 0.0002921 | Pa×s | 535.90 | Joback Calculated Property |
| η | 0.0001804 | Pa×s | 591.72 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 647.55 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 703.38 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 759.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 8-chlorooctyl isobutyl ester.
Sources
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