- InChI
- InChI=1S/C19H26ClNO6/c20-14-5-3-1-2-4-6-15-26-18(22)8-7-9-19(23)27-17-12-10-16(11-13-17)21(24)25/h10-13H,1-9,14-15H2
- InChI Key
- IOROWLHSVHIXDE-UHFFFAOYSA-N
- Formula
- C19H26ClNO6
- SMILES
-
O=C(CCCC(=O)Oc1ccc([N+](=O)[O-
])cc1)OCCCCCCCCCl - Molecular Weight1
- 399.87
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.1487 | Relay (1.0) Calculated Property | |
| ΔfG° | -232.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.793 | Crippen Calculated Property | |
| McVol | 299.350 | ml/mol | McGowan Calculated Property |
| Pc | 1414.37 | kPa | Joback Calculated Property |
| Inp | [3169.00; 3169.00] |
|
|
| Inp | 3169.00 | NIST | |
| Inp | 3169.00 | NIST | |
| Tboil | 667.33 | K | Relay (1.0) Calculated Property |
| Tc | 926.01 | K | Relay (1.0) Calculated Property |
| Tfus | 341.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [949.93; 998.29] | J/mol×K | [1007.63; 1237.32] |
|
| Cp,gas | 949.93 | J/mol×K | 1007.63 | Joback Calculated Property |
| Cp,gas | 961.13 | J/mol×K | 1045.91 | Joback Calculated Property |
| Cp,gas | 971.03 | J/mol×K | 1084.19 | Joback Calculated Property |
| Cp,gas | 979.65 | J/mol×K | 1122.47 | Joback Calculated Property |
| Cp,gas | 987.05 | J/mol×K | 1160.76 | Joback Calculated Property |
| Cp,gas | 993.24 | J/mol×K | 1199.04 | Joback Calculated Property |
| Cp,gas | 998.29 | J/mol×K | 1237.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-nitrophenyl ester.
Sources
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