- InChI
- InChI=1S/C18H26O2/c1-7-12(4)17(19)20-10-16-8-15-9-18(16,11(2)3)14(6)13(15)5/h7,15-16H,2,8-10H2,1,3-6H3/b12-7-/t15?,16-,18+/m1/s1
- InChI Key
- IYIHUFNVXVJOTK-ROOOSEESSA-N
- Formula
- C18H26O2
- SMILES
-
C=C(C)C12CC(CC1COC(=O)C(C)=CC)
C(C)=C2C - Molecular Weight1
- 274.40
- 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).
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | 124.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.434 | Crippen Calculated Property | |
| McVol | 237.300 | ml/mol | McGowan Calculated Property |
| Pc | 1609.00 | kPa | Joback Calculated Property |
| I | [2263.00; 2263.00] |
|
|
| I | 2263.00 | NIST | |
| I | 2263.00 | NIST | |
| Tboil | 710.57 | K | Joback Calculated Property |
| Tc | 921.35 | K | Joback Calculated Property |
| Tfus | 407.84 | K | Joback Calculated Property |
| Vc | 0.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.89; 796.25] | J/mol×K | [710.57; 921.35] |
|
| Cp,gas | 690.89 | J/mol×K | 710.57 | Joback Calculated Property |
| Cp,gas | 709.89 | J/mol×K | 745.70 | Joback Calculated Property |
| Cp,gas | 728.11 | J/mol×K | 780.83 | Joback Calculated Property |
| Cp,gas | 745.69 | J/mol×K | 815.96 | Joback Calculated Property |
| Cp,gas | 762.81 | J/mol×K | 851.09 | Joback Calculated Property |
| Cp,gas | 779.61 | J/mol×K | 886.22 | Joback Calculated Property |
| Cp,gas | 796.25 | J/mol×K | 921.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to exo-Arbozyl angelate.
Sources
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