- InChI
- InChI=1S/C23H31N3O2/c1-5-23(4,17-9-10-18(2)3)28-22(27)24-19-13-15-21(16-14-19)26-25-20-11-7-6-8-12-20/h6-8,11-16,18H,5,9-10,17H2,1-4H3,(H,24,27)/b26-25+
- InChI Key
- HFQXDQLQQDQPMA-OCEACIFDSA-N
- Formula
- C23H31N3O2
- SMILES
-
CCC(C)(CCCC(C)C)OC(=O)Nc1ccc(N
=Nc2ccccc2)cc1 - Molecular Weight1
- 381.51
- CAS
- 95293-43-9
- 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 | 1.0064 | Relay (1.0) Calculated Property | |
| ΔfG° | 193.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -232.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.645 | Crippen Calculated Property | |
| McVol | 320.490 | ml/mol | McGowan Calculated Property |
| Pc | 1145.21 | kPa | Joback Calculated Property |
| Tboil | 700.32 | K | Relay (1.0) Calculated Property |
| Tc | 977.90 | K | Relay (1.0) Calculated Property |
| Tfus | 381.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.135 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, tetrahydrolinalool ester.
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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