- InChI
- InChI=1S/C24H29NO3/c1-16(26)25(5)14-8-10-19-20-9-6-7-11-22(20)24(3,4)23-15-18(28-17(2)27)12-13-21(19)23/h6-7,9,11-13,15,19H,8,10,14H2,1-5H3
- InChI Key
- SVWVOZFNOCWJEJ-UHFFFAOYSA-N
- Formula
- C24H29NO3
- SMILES
-
CC(=O)Oc1ccc2c(c1)C(C)(C)c1ccc
cc1C2CCCN(C)C(C)=O - Molecular Weight1
- 379.49
- 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 | 0.8532 | Relay (1.0) Calculated Property | |
| ΔfG° | 154.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.642 | Crippen Calculated Property | |
| McVol | 309.630 | ml/mol | McGowan Calculated Property |
| Pc | 1391.25 | kPa | Joback Calculated Property |
| Inp | 3028.00 | NIST | |
| Tboil | 696.49 | K | Relay (1.0) Calculated Property |
| Tc | 987.78 | K | Relay (1.0) Calculated Property |
| Tfus | 406.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.128 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.72; 1138.47] | J/mol×K | [957.46; 1186.82] | 
|
| Cp,gas | 1015.72 | J/mol×K | 957.46 | Joback Calculated Property |
| Cp,gas | 1035.62 | J/mol×K | 995.69 | Joback Calculated Property |
| Cp,gas | 1055.46 | J/mol×K | 1033.91 | Joback Calculated Property |
| Cp,gas | 1075.46 | J/mol×K | 1072.14 | Joback Calculated Property |
| Cp,gas | 1095.82 | J/mol×K | 1110.36 | Joback Calculated Property |
| Cp,gas | 1116.76 | J/mol×K | 1148.59 | Joback Calculated Property |
| Cp,gas | 1138.47 | J/mol×K | 1186.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Melitracene M(Nor-HO-dihydro), diacetylated.
Sources
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