- InChI
- InChI=1S/C33H48N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(37)38-31-26-24-30(25-27-31)35-34-29-22-20-28(21-23-29)32(36)4-2/h20-27H,3-19H2,1-2H3/b35-34+
- InChI Key
- PPCXODISASLTSK-XAHDOWKMSA-N
- Formula
- C33H48N2O3
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(N
=Nc2ccc(C(=O)CC)cc2)cc1 - Molecular Weight1
- 520.75
- CAS
- 76212-79-8
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -584.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.50 | kJ/mol | Joback Calculated Property |
| log10WS | -11.60 | Crippen Calculated Property | |
| logPoct/wat | 10.862 | Crippen Calculated Property | |
| McVol | 452.980 | ml/mol | McGowan Calculated Property |
| Pc | 655.11 | kPa | Joback Calculated Property |
| Tboil | 1297.12 | K | Joback Calculated Property |
| Tc | 1623.52 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 59.62 | kJ/mol | 380.65 | NIST |
| ΔfusS | 156.60 | J/mol×K | 380.65 | NIST |
Similar Compounds
Find more compounds similar to 4-Propionyl-4'-n-octadecanoyloxyazobenzene.
Sources
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