- InChI
- InChI=1S/C15H13NO4/c1-20-14(17)15(12-4-2-3-5-13(12)15)10-6-8-11(9-7-10)16(18)19/h2-9,12-13H,1H3
- InChI Key
- JHCAALNYMCSOLH-UHFFFAOYSA-N
- Formula
- C15H13NO4
- SMILES
-
COC(=O)C1(c2ccc([N+](=O)[O-])c
c2)C2C=CC=CC21 - Molecular Weight1
- 271.27
- CAS
- 32777-10-9
- 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).
- 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 | 0.5431 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -65.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.378 | Crippen Calculated Property | |
| McVol | 192.990 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Tboil | 583.05 | K | Relay (1.0) Calculated Property |
| Tc | 907.56 | K | Relay (1.0) Calculated Property |
| Tfus | 396.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.652 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.95; 666.61] | J/mol×K | [814.03; 1077.12] | 
|
| Cp,gas | 573.95 | J/mol×K | 814.03 | Joback Calculated Property |
| Cp,gas | 589.22 | J/mol×K | 857.88 | Joback Calculated Property |
| Cp,gas | 604.17 | J/mol×K | 901.73 | Joback Calculated Property |
| Cp,gas | 619.09 | J/mol×K | 945.57 | Joback Calculated Property |
| Cp,gas | 634.28 | J/mol×K | 989.42 | Joback Calculated Property |
| Cp,gas | 650.02 | J/mol×K | 1033.27 | Joback Calculated Property |
| Cp,gas | 666.61 | J/mol×K | 1077.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate.
Sources
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