- InChI
- InChI=1S/C17H31ClO4/c1-3-4-5-6-7-8-9-10-11-12-21-16(19)13-17(20)22-14-15(2)18/h15H,3-14H2,1-2H3
- InChI Key
- XNRXLJXCPKUKHW-UHFFFAOYSA-N
- Formula
- C17H31ClO4
- SMILES
-
CCCCCCCCCCCOC(=O)CC(=O)OCC(C)C
l - Molecular Weight1
- 334.88
- 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 | 0.9366 | Relay (1.0) Calculated Property | |
| ΔfG° | -389.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1065.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.621 | Crippen Calculated Property | |
| McVol | 277.510 | ml/mol | McGowan Calculated Property |
| Pc | 1287.44 | kPa | Joback Calculated Property |
| Inp | [2206.00; 2206.00] |
|
|
| Inp | 2206.00 | NIST | |
| Inp | 2206.00 | NIST | |
| Tboil | 602.83 | K | Relay (1.0) Calculated Property |
| Tc | 786.32 | K | Relay (1.0) Calculated Property |
| Tfus | 259.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.050 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.99; 906.92] | J/mol×K | [777.93; 962.16] |
|
| Cp,gas | 822.99 | J/mol×K | 777.93 | Joback Calculated Property |
| Cp,gas | 839.25 | J/mol×K | 808.63 | Joback Calculated Property |
| Cp,gas | 854.58 | J/mol×K | 839.34 | Joback Calculated Property |
| Cp,gas | 869.00 | J/mol×K | 870.04 | Joback Calculated Property |
| Cp,gas | 882.53 | J/mol×K | 900.75 | Joback Calculated Property |
| Cp,gas | 895.16 | J/mol×K | 931.45 | Joback Calculated Property |
| Cp,gas | 906.92 | J/mol×K | 962.16 | Joback Calculated Property |
| η | [0.0000650; 0.0010819] | Pa×s | [440.59; 777.93] |
|
| η | 0.0010819 | Pa×s | 440.59 | Joback Calculated Property |
| η | 0.0005194 | Pa×s | 496.81 | Joback Calculated Property |
| η | 0.0002895 | Pa×s | 553.04 | Joback Calculated Property |
| η | 0.0001797 | Pa×s | 609.26 | Joback Calculated Property |
| η | 0.0001209 | Pa×s | 665.48 | Joback Calculated Property |
| η | 0.0000866 | Pa×s | 721.71 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 777.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 2-chloropropyl undecyl ester.
Sources
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