- InChI
- InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3
- InChI Key
- BFWKKBSHTOEBHL-UHFFFAOYSA-N
- Formula
- C16H26O
- SMILES
- C=C1CCC2C(C)(C)CCCC2(C)C1CC=O
- Molecular Weight1
- 234.38
- CAS
- 3243-36-5
- 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 | 0.3925 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.374 | Crippen Calculated Property | |
| McVol | 211.850 | ml/mol | McGowan Calculated Property |
| Pc | 1928.74 | kPa | Joback Calculated Property |
| Inp | [1809.20; 1809.20] |
|
|
| Inp | 1809.20 | NIST | |
| Inp | 1809.20 | NIST | |
| Tboil | 573.58 | K | Relay (1.0) Calculated Property |
| Tc | 807.24 | K | Relay (1.0) Calculated Property |
| Tfus | 325.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.693 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.54; 722.49] | J/mol×K | [635.00; 856.74] |
|
| Cp,gas | 601.54 | J/mol×K | 635.00 | Joback Calculated Property |
| Cp,gas | 623.73 | J/mol×K | 671.96 | Joback Calculated Property |
| Cp,gas | 644.80 | J/mol×K | 708.91 | Joback Calculated Property |
| Cp,gas | 664.98 | J/mol×K | 745.87 | Joback Calculated Property |
| Cp,gas | 684.50 | J/mol×K | 782.83 | Joback Calculated Property |
| Cp,gas | 703.59 | J/mol×K | 819.78 | Joback Calculated Property |
| Cp,gas | 722.49 | J/mol×K | 856.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ambrial.
Sources
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