- InChI
- InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
- InChI Key
- HDWLUGYOLUHEMN-UHFFFAOYSA-N
- Formula
- C14H18N2O7
- SMILES
-
CCC(C)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1OC(=O)OC(C)C - Molecular Weight1
- 326.30
- CAS
- 973-21-7
- Other Names
-
- Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester
- Carbonic acid, 2-sec-butyl-4,6-dinitrophenyl isopropyl ester
- Acrex
- Dessin
- Drawinol
- Isopropyl 2,4-dinitro-6-sec-butylphenyl carbonate
- Kasebon
- MC 1053
- Union Carbide 19786
- UC 19786
- 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate
- Sytasol
- 2,4-Dinitro-6-sec-butylphenyl isopropyl carbonate
- Akrex
- Isophen (pesticide)
- 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° | -122.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.70 | Crippen Calculated Property | |
| logPoct/wat | 3.940 | Crippen Calculated Property | |
| McVol | 232.510 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Tboil | 962.85 | K | Joback Calculated Property |
| Tc | 1208.55 | K | Joback Calculated Property |
| Tfus | 663.13 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.38; 763.87] | J/mol×K | [962.85; 1208.55] | 
|
| Cp,gas | 724.38 | J/mol×K | 962.85 | Joback Calculated Property |
| Cp,gas | 734.38 | J/mol×K | 1003.80 | Joback Calculated Property |
| Cp,gas | 743.00 | J/mol×K | 1044.75 | Joback Calculated Property |
| Cp,gas | 750.24 | J/mol×K | 1085.70 | Joback Calculated Property |
| Cp,gas | 756.13 | J/mol×K | 1126.65 | Joback Calculated Property |
| Cp,gas | 760.67 | J/mol×K | 1167.60 | Joback Calculated Property |
| Cp,gas | 763.87 | J/mol×K | 1208.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dinobuton.
Sources
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