- InChI
- InChI=1S/C16H18N4O4/c1-10(2)12-5-4-11(3)15(8-12)18-17-14-7-6-13(19(21)22)9-16(14)20(23)24/h4,6-7,9,12,17H,1,5,8H2,2-3H3
- InChI Key
- ZACXARIVELKBSR-UHFFFAOYSA-N
- Formula
- C16H18N4O4
- SMILES
-
C=C(C)C1CC=C(C)C(=NNc2ccc([N+]
(=O)[O-])cc2[N+](=O)[O-])C1 - Molecular Weight1
- 330.34
- CAS
- 3102-61-2
- Other Names
-
- Carvone, 2,4-dinitrophenyl hydrazone
- p-Mentha-6,8-dien-2-one, 2,4-dinitro-phenylhydrazone
- 2,4-Dinitrophenylhydrazone carvone
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.8070 | Relay (... Calculated Property | |
| ΔfG° | 485.69 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 227.99 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.27 | eV | Relay (... Calculated Property |
| log10WS | -4.63 | Relay (... Calculated Property | |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 243.580 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Tboil | 655.52 | K | Relay (... Calculated Property |
| Tc | 989.77 | K | Relay (... Calculated Property |
| Tfus | 389.11 | K | Relay (... Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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