- InChI
- InChI=1S/C18H21NO2/c1-15(20)19(2)13-14-21-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3
- InChI Key
- RRLHRDNTUZHNAO-UHFFFAOYSA-N
- Formula
- C18H21NO2
- SMILES
-
CC(=O)N(C)CCOC(c1ccccc1)c1cccc
c1 - Molecular Weight1
- 283.36
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6482 | Relay (1.0) Calculated Property | |
| ΔfG° | 199.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.271 | Crippen Calculated Property | |
| McVol | 234.380 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | [2343.00; 2344.00] |
|
|
| Inp | 2343.00 | NIST | |
| Inp | 2344.00 | NIST | |
| Tboil | 616.46 | K | Relay (1.0) Calculated Property |
| Tc | 894.53 | K | Relay (1.0) Calculated Property |
| Tfus | 339.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.64; 751.11] | J/mol×K | [752.89; 978.58] |
|
| Cp,gas | 667.64 | J/mol×K | 752.89 | Joback Calculated Property |
| Cp,gas | 684.60 | J/mol×K | 790.51 | Joback Calculated Property |
| Cp,gas | 700.25 | J/mol×K | 828.12 | Joback Calculated Property |
| Cp,gas | 714.65 | J/mol×K | 865.74 | Joback Calculated Property |
| Cp,gas | 727.88 | J/mol×K | 903.35 | Joback Calculated Property |
| Cp,gas | 740.01 | J/mol×K | 940.97 | Joback Calculated Property |
| Cp,gas | 751.11 | J/mol×K | 978.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nordimedrol acetylated.
Sources
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