- InChI
- InChI=1S/C20H29NO6/c1-2-3-15-26-19(22)13-8-6-4-5-7-9-14-20(23)27-18-12-10-11-17(16-18)21(24)25/h10-12,16H,2-9,13-15H2,1H3
- InChI Key
- RRJLLAPYCPFZMD-UHFFFAOYSA-N
- Formula
- C20H29NO6
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1cccc
([N+](=O)[O-])c1 - Molecular Weight1
- 379.45
- 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 | 1.1401 | Relay (... Calculated Property | |
| ΔfG° | -211.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.17 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -5.63 | Relay (... Calculated Property | |
| logPoct/wat | 4.964 | Crippen Calculated Property | |
| McVol | 301.200 | ml/mol | McGowan Calculated Property |
| Pc | 1353.63 | kPa | Joback Calculated Property |
| Inp | 2999.00 | NIST | |
| Tboil | 657.91 | K | Relay (... Calculated Property |
| Tc | 897.54 | K | Relay (... Calculated Property |
| Tfus | 315.01 | K | Relay (... Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.43; 1044.48] | J/mol×K | [993.08; 1218.94] | 
|
| Cp,gas | 988.43 | J/mol×K | 993.08 | Joback Calculated Property |
| Cp,gas | 1001.03 | J/mol×K | 1030.72 | Joback Calculated Property |
| Cp,gas | 1012.27 | J/mol×K | 1068.37 | Joback Calculated Property |
| Cp,gas | 1022.20 | J/mol×K | 1106.01 | Joback Calculated Property |
| Cp,gas | 1030.85 | J/mol×K | 1143.65 | Joback Calculated Property |
| Cp,gas | 1038.27 | J/mol×K | 1181.30 | Joback Calculated Property |
| Cp,gas | 1044.48 | J/mol×K | 1218.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 3-nitrophenyl ester.
Sources
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