- InChI
- InChI=1S/C15H18N2O6/c1-2-14(18)23-15-12(10-6-4-3-5-7-10)8-11(16(19)20)9-13(15)17(21)22/h8-10H,2-7H2,1H3
- InChI Key
- YERJOKQGQHMPIO-UHFFFAOYSA-N
- Formula
- C15H18N2O6
- SMILES
-
CCC(=O)Oc1c(C2CCCCC2)cc([N+](=
O)[O-])cc1[N+](=O)[O-] - Molecular Weight1
- 322.31
- CAS
- 116632-95-2
- 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).
- 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° | 20.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.84 | Crippen Calculated Property | |
| logPoct/wat | 3.866 | Crippen Calculated Property | |
| McVol | 229.870 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Tboil | 983.74 | K | Joback Calculated Property |
| Tc | 1249.36 | K | Joback Calculated Property |
| Tfus | 689.55 | K | Joback Calculated Property |
| Vc | 0.888 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.41; 788.59] | J/mol×K | [983.74; 1249.36] | 
|
| Cp,gas | 746.41 | J/mol×K | 983.74 | Joback Calculated Property |
| Cp,gas | 757.29 | J/mol×K | 1028.01 | Joback Calculated Property |
| Cp,gas | 766.56 | J/mol×K | 1072.28 | Joback Calculated Property |
| Cp,gas | 774.27 | J/mol×K | 1116.55 | Joback Calculated Property |
| Cp,gas | 780.48 | J/mol×K | 1160.82 | Joback Calculated Property |
| Cp,gas | 785.24 | J/mol×K | 1205.09 | Joback Calculated Property |
| Cp,gas | 788.59 | J/mol×K | 1249.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexyl-4,6-dinitrophenyl propionate.
Sources
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