- InChI
- InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3
- InChI Key
- LTUMRKDLVGQMJU-UHFFFAOYSA-N
- Formula
- C18H30O
- SMILES
-
CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)
C - Molecular Weight1
- 262.43
- CAS
- 762-29-8
- Other Names
-
- 5,9,13-Pentadecatriene-2-one, 6,10,14-trimethyl-
- Pentadeca-5,9,13-triene-2-one, 6,10,14-trimethyl-
- 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one
- 6,10,14-trimethylpentadeca-5,9,13-trien-2-one
- 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 | 0.5689 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.775 | Crippen Calculated Property | |
| McVol | 253.150 | ml/mol | McGowan Calculated Property |
| Pc | 1359.63 | kPa | Joback Calculated Property |
| Inp | 1921.00 | NIST | |
| Tboil | 581.16 | K | Relay (1.0) Calculated Property |
| Tc | 757.05 | K | Relay (1.0) Calculated Property |
| Tfus | 264.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.45; 789.64] | J/mol×K | [677.23; 866.12] | 
|
| Cp,gas | 692.45 | J/mol×K | 677.23 | Joback Calculated Property |
| Cp,gas | 710.76 | J/mol×K | 708.71 | Joback Calculated Property |
| Cp,gas | 728.14 | J/mol×K | 740.19 | Joback Calculated Property |
| Cp,gas | 744.65 | J/mol×K | 771.68 | Joback Calculated Property |
| Cp,gas | 760.37 | J/mol×K | 803.16 | Joback Calculated Property |
| Cp,gas | 775.34 | J/mol×K | 834.64 | Joback Calculated Property |
| Cp,gas | 789.64 | J/mol×K | 866.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-.
Sources
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