- InChI
- InChI=1S/C17H29ClO4/c1-3-10-15(2)22-17(20)12-11-16(19)21-14-9-7-5-4-6-8-13-18/h11-12,15H,3-10,13-14H2,1-2H3/b12-11+
- InChI Key
- DVBYNKUOZYTQHG-VAWYXSNFSA-N
- Formula
- C17H29ClO4
- SMILES
-
CCCC(C)OC(=O)C=CC(=O)OCCCCCCCC
Cl - Molecular Weight1
- 332.86
- 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° | -309.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 4.397 | Crippen Calculated Property | |
| McVol | 273.210 | ml/mol | McGowan Calculated Property |
| Pc | 1336.86 | kPa | Joback Calculated Property |
| Inp | [2309.00; 2309.00] |
|
|
| Inp | 2309.00 | NIST | |
| Inp | 2309.00 | NIST | |
| Tboil | 782.09 | K | Joback Calculated Property |
| Tc | 970.10 | K | Joback Calculated Property |
| Tfus | 435.51 | K | Joback Calculated Property |
| Vc | 1.058 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.12; 879.45] | J/mol×K | [782.09; 970.10] |
|
| Cp,gas | 798.12 | J/mol×K | 782.09 | Joback Calculated Property |
| Cp,gas | 813.85 | J/mol×K | 813.42 | Joback Calculated Property |
| Cp,gas | 828.68 | J/mol×K | 844.76 | Joback Calculated Property |
| Cp,gas | 842.63 | J/mol×K | 876.09 | Joback Calculated Property |
| Cp,gas | 855.73 | J/mol×K | 907.43 | Joback Calculated Property |
| Cp,gas | 867.99 | J/mol×K | 938.76 | Joback Calculated Property |
| Cp,gas | 879.45 | J/mol×K | 970.10 | Joback Calculated Property |
| η | [0.0000564; 0.0010078] | Pa×s | [435.51; 782.09] |
|
| η | 0.0010078 | Pa×s | 435.51 | Joback Calculated Property |
| η | 0.0004705 | Pa×s | 493.27 | Joback Calculated Property |
| η | 0.0002577 | Pa×s | 551.04 | Joback Calculated Property |
| η | 0.0001582 | Pa×s | 608.80 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 666.56 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 724.33 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 782.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-pentyl 8-chlorooctyl ester.
Sources
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