- InChI
- InChI=1S/C19H27NO6/c1-2-14-25-18(21)12-7-5-3-4-6-8-13-19(22)26-17-11-9-10-16(15-17)20(23)24/h9-11,15H,2-8,12-14H2,1H3
- InChI Key
- PWMRZWHDPWMXMQ-UHFFFAOYSA-N
- Formula
- C19H27NO6
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1cccc(
[N+](=O)[O-])c1 - Molecular Weight1
- 365.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -220.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 4.574 | Crippen Calculated Property | |
| McVol | 287.110 | ml/mol | McGowan Calculated Property |
| Pc | 1454.57 | kPa | Joback Calculated Property |
| Inp | [2892.00; 2892.00] |
|
|
| Inp | 2892.00 | NIST | |
| Inp | 2892.00 | NIST | |
| Tboil | 970.20 | K | Joback Calculated Property |
| Tc | 1193.92 | K | Joback Calculated Property |
| Tfus | 630.76 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [929.17; 985.26] | J/mol×K | [970.20; 1193.92] |
|
| Cp,gas | 929.17 | J/mol×K | 970.20 | Joback Calculated Property |
| Cp,gas | 941.66 | J/mol×K | 1007.49 | Joback Calculated Property |
| Cp,gas | 952.85 | J/mol×K | 1044.77 | Joback Calculated Property |
| Cp,gas | 962.77 | J/mol×K | 1082.06 | Joback Calculated Property |
| Cp,gas | 971.45 | J/mol×K | 1119.34 | Joback Calculated Property |
| Cp,gas | 978.94 | J/mol×K | 1156.63 | Joback Calculated Property |
| Cp,gas | 985.26 | J/mol×K | 1193.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-nitrophenyl propyl ester.
Sources
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