- InChI
- InChI=1S/C25H39NO6/c1-2-3-4-5-8-11-14-20-31-24(27)18-12-9-6-7-10-13-19-25(28)32-23-17-15-16-22(21-23)26(29)30/h15-17,21H,2-14,18-20H2,1H3
- InChI Key
- SXMYOYIKYJIJEF-UHFFFAOYSA-N
- Formula
- C25H39NO6
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1cccc([N+](=O)[O-])c1 - Molecular Weight1
- 449.58
- 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 | 1.3204 | Relay (... Calculated Property | |
| ΔfG° | -169.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 71.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.41 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -7.06 | Relay (... Calculated Property | |
| logPoct/wat | 6.915 | Crippen Calculated Property | |
| McVol | 371.650 | ml/mol | McGowan Calculated Property |
| Pc | 977.78 | kPa | Joback Calculated Property |
| Inp | [3528.00; 3528.00] |
|
|
| Inp | 3528.00 | NIST | |
| Inp | 3528.00 | NIST | |
| Tboil | 692.97 | K | Relay (... Calculated Property |
| Tc | 933.41 | K | Relay (... Calculated Property |
| Tfus | 330.56 | K | Relay (... Calculated Property |
| Vc | 1.382 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1291.28; 1345.73] | J/mol×K | [1107.48; 1359.81] |
|
| Cp,gas | 1291.28 | J/mol×K | 1107.48 | Joback Calculated Property |
| Cp,gas | 1304.53 | J/mol×K | 1149.54 | Joback Calculated Property |
| Cp,gas | 1316.00 | J/mol×K | 1191.59 | Joback Calculated Property |
| Cp,gas | 1325.78 | J/mol×K | 1233.65 | Joback Calculated Property |
| Cp,gas | 1333.94 | J/mol×K | 1275.70 | Joback Calculated Property |
| Cp,gas | 1340.56 | J/mol×K | 1317.76 | Joback Calculated Property |
| Cp,gas | 1345.73 | J/mol×K | 1359.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-nitrophenyl nonyl ester.
Sources
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