- InChI
- InChI=1S/C20H29NO6/c1-4-7-8-9-10-15-26-18(22)20(5-2,6-3)19(23)27-17-13-11-16(12-14-17)21(24)25/h11-14H,4-10,15H2,1-3H3
- InChI Key
- FTCQMVXJOQPOPS-UHFFFAOYSA-N
- Formula
- C20H29NO6
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
ccc([N+](=O)[O-])cc1 - 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 | 1.0196 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -808.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.820 | Crippen Calculated Property | |
| McVol | 301.200 | ml/mol | McGowan Calculated Property |
| Pc | 1372.76 | kPa | Joback Calculated Property |
| Inp | 2555.00 | NIST | |
| Tboil | 646.05 | K | Relay (1.0) Calculated Property |
| Tc | 902.99 | K | Relay (1.0) Calculated Property |
| Tfus | 339.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.069 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.78; 1048.30] | J/mol×K | [989.85; 1218.67] | 
|
| Cp,gas | 988.78 | J/mol×K | 989.85 | Joback Calculated Property |
| Cp,gas | 1001.61 | J/mol×K | 1027.99 | Joback Calculated Property |
| Cp,gas | 1013.19 | J/mol×K | 1066.12 | Joback Calculated Property |
| Cp,gas | 1023.58 | J/mol×K | 1104.26 | Joback Calculated Property |
| Cp,gas | 1032.86 | J/mol×K | 1142.40 | Joback Calculated Property |
| Cp,gas | 1041.08 | J/mol×K | 1180.54 | Joback Calculated Property |
| Cp,gas | 1048.30 | J/mol×K | 1218.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl 4-nitrophenyl ester.
Sources
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