- InChI
- InChI=1S/C23H35NO6/c1-2-3-4-5-6-7-8-12-19-29-22(25)13-10-9-11-14-23(26)30-21-17-15-20(16-18-21)24(27)28/h15-18H,2-14,19H2,1H3
- InChI Key
- KOOPRVAHBPYKLX-UHFFFAOYSA-N
- Formula
- C23H35NO6
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)Oc1c
cc([N+](=O)[O-])cc1 - Molecular Weight1
- 421.53
- 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° | -186.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.63 | kJ/mol | Joback Calculated Property |
| log10WS | -7.58 | Crippen Calculated Property | |
| logPoct/wat | 6.135 | Crippen Calculated Property | |
| McVol | 343.470 | ml/mol | McGowan Calculated Property |
| Pc | 1106.68 | kPa | Joback Calculated Property |
| Inp | [2019.00; 2019.00] |
|
|
| Inp | 2019.00 | NIST | |
| Inp | 2019.00 | NIST | |
| Tboil | 1061.72 | K | Joback Calculated Property |
| Tc | 1300.03 | K | Joback Calculated Property |
| Tfus | 675.84 | K | Joback Calculated Property |
| Vc | 1.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1169.01; 1224.35] | J/mol×K | [1061.72; 1300.03] |
|
| Cp,gas | 1169.01 | J/mol×K | 1061.72 | Joback Calculated Property |
| Cp,gas | 1181.96 | J/mol×K | 1101.44 | Joback Calculated Property |
| Cp,gas | 1193.35 | J/mol×K | 1141.16 | Joback Calculated Property |
| Cp,gas | 1203.22 | J/mol×K | 1180.88 | Joback Calculated Property |
| Cp,gas | 1211.64 | J/mol×K | 1220.59 | Joback Calculated Property |
| Cp,gas | 1218.67 | J/mol×K | 1260.31 | Joback Calculated Property |
| Cp,gas | 1224.35 | J/mol×K | 1300.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl 4-nitrophenyl ester.
Sources
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