- InChI
- InChI=1S/C24H37NO6/c1-2-3-4-5-10-15-20-30-23(26)18-11-8-6-7-9-12-19-24(27)31-22-17-14-13-16-21(22)25(28)29/h13-14,16-17H,2-12,15,18-20H2,1H3
- InChI Key
- JDPIJELHNQMVIK-UHFFFAOYSA-N
- Formula
- C24H37NO6
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1
ccccc1[N+](=O)[O-] - Molecular Weight1
- 435.55
- 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 | 1.2776 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -911.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.525 | Crippen Calculated Property | |
| McVol | 357.560 | ml/mol | McGowan Calculated Property |
| Pc | 1039.24 | kPa | Joback Calculated Property |
| Inp | 3355.00 | NIST | |
| Tboil | 677.42 | K | Relay (1.0) Calculated Property |
| Tc | 924.73 | K | Relay (1.0) Calculated Property |
| Tfus | 316.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.328 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1229.98; 1284.92] | J/mol×K | [1084.60; 1329.30] | 
|
| Cp,gas | 1229.98 | J/mol×K | 1084.60 | Joback Calculated Property |
| Cp,gas | 1243.08 | J/mol×K | 1125.38 | Joback Calculated Property |
| Cp,gas | 1254.51 | J/mol×K | 1166.17 | Joback Calculated Property |
| Cp,gas | 1264.34 | J/mol×K | 1206.95 | Joback Calculated Property |
| Cp,gas | 1272.64 | J/mol×K | 1247.73 | Joback Calculated Property |
| Cp,gas | 1279.48 | J/mol×K | 1288.52 | Joback Calculated Property |
| Cp,gas | 1284.92 | J/mol×K | 1329.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-nitrophenyl octyl ester.
Sources
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