- InChI
- InChI=1S/C14H20N2O4/c1-2-3-4-5-6-10-20-14(17)15-12-8-7-9-13(11-12)16(18)19/h7-9,11H,2-6,10H2,1H3,(H,15,17)
- InChI Key
- QUMQINZRAKJMTM-UHFFFAOYSA-N
- Formula
- C14H20N2O4
- SMILES
-
CCCCCCCOC(=O)Nc1cccc([N+](=O)[
O-])c1 - Molecular Weight1
- 280.32
- CAS
- 93896-50-5
- Other Names
-
- Carbamic acid, N-(3-nitrophenyl)-, heptyl ester
- 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 | 0.9212 | Relay (1.0) Calculated Property | |
| ΔfG° | 60.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.114 | Crippen Calculated Property | |
| McVol | 219.200 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Tboil | 614.57 | K | Relay (1.0) Calculated Property |
| Tc | 894.48 | K | Relay (1.0) Calculated Property |
| Tfus | 336.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.10; 722.52] | J/mol×K | [829.68; 1051.05] | 
|
| Cp,gas | 658.10 | J/mol×K | 829.68 | Joback Calculated Property |
| Cp,gas | 671.30 | J/mol×K | 866.57 | Joback Calculated Property |
| Cp,gas | 683.47 | J/mol×K | 903.47 | Joback Calculated Property |
| Cp,gas | 694.64 | J/mol×K | 940.36 | Joback Calculated Property |
| Cp,gas | 704.85 | J/mol×K | 977.26 | Joback Calculated Property |
| Cp,gas | 714.13 | J/mol×K | 1014.15 | Joback Calculated Property |
| Cp,gas | 722.52 | J/mol×K | 1051.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitro carbanilic acid, n-heptyl ester.
Sources
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