- InChI
- InChI=1S/C18H25NO6/c1-3-5-7-14(4-2)13-24-17(20)10-11-18(21)25-16-9-6-8-15(12-16)19(22)23/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3
- InChI Key
- HRDDXGLXDDNKNI-UHFFFAOYSA-N
- Formula
- C18H25NO6
- SMILES
-
CCCCC(CC)COC(=O)CCC(=O)Oc1cccc
([N+](=O)[O-])c1 - Molecular Weight1
- 351.39
- 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 | 0.9916 | Relay (1.0) Calculated Property | |
| ΔfG° | -231.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.040 | Crippen Calculated Property | |
| McVol | 273.020 | ml/mol | McGowan Calculated Property |
| Pc | 1577.21 | kPa | Joback Calculated Property |
| Inp | [2646.00; 2646.00] |
|
|
| Inp | 2646.00 | NIST | |
| Inp | 2646.00 | NIST | |
| Tboil | 644.29 | K | Relay (1.0) Calculated Property |
| Tc | 882.65 | K | Relay (1.0) Calculated Property |
| Tfus | 292.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.95; 926.74] | J/mol×K | [946.88; 1171.09] |
|
| Cp,gas | 870.95 | J/mol×K | 946.88 | Joback Calculated Property |
| Cp,gas | 883.36 | J/mol×K | 984.25 | Joback Calculated Property |
| Cp,gas | 894.49 | J/mol×K | 1021.62 | Joback Calculated Property |
| Cp,gas | 904.36 | J/mol×K | 1058.99 | Joback Calculated Property |
| Cp,gas | 913.01 | J/mol×K | 1096.36 | Joback Calculated Property |
| Cp,gas | 920.45 | J/mol×K | 1133.72 | Joback Calculated Property |
| Cp,gas | 926.74 | J/mol×K | 1171.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-ethylhexyl 3-nitrophenyl ester.
Sources
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