- InChI
- InChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h8,13-16H,6-7,9-12H2,1-5H3/b14-8+,17-13+
- InChI Key
- LGSXJEDIGQMTRC-BYYJQVKUSA-N
- Formula
- C18H32O
- SMILES
- CC(=O)C=CC=C(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 264.45
- CAS
- 1604-32-6
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-11208.90; -11205.40] | kJ/mol |
|
| ΔcH°liquid | -11208.90 ± 4.30 | kJ/mol | NIST |
| ΔcH°liquid | -11205.40 | kJ/mol | NIST |
| ΔfG° | 118.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.34 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-451.00; -447.60] | kJ/mol |
|
| ΔfH°liquid | -447.60 ± 1.80 | kJ/mol | NIST |
| ΔfH°liquid | -451.00 ± 9.10 | kJ/mol | NIST |
| ΔfusH° | 36.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 5.711 | Crippen Calculated Property | |
| McVol | 257.450 | ml/mol | McGowan Calculated Property |
| Pc | 1314.65 | kPa | Joback Calculated Property |
| Tboil | 672.43 | K | Joback Calculated Property |
| Tc | 856.23 | K | Joback Calculated Property |
| Tfus | 288.43 | K | Joback Calculated Property |
| Vc | 0.999 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.66; 816.04] | J/mol×K | [672.43; 856.23] |
|
| Cp,gas | 715.66 | J/mol×K | 672.43 | Joback Calculated Property |
| Cp,gas | 734.58 | J/mol×K | 703.06 | Joback Calculated Property |
| Cp,gas | 752.56 | J/mol×K | 733.70 | Joback Calculated Property |
| Cp,gas | 769.65 | J/mol×K | 764.33 | Joback Calculated Property |
| Cp,gas | 785.89 | J/mol×K | 794.97 | Joback Calculated Property |
| Cp,gas | 801.34 | J/mol×K | 825.60 | Joback Calculated Property |
| Cp,gas | 816.04 | J/mol×K | 856.23 | Joback Calculated Property |
| Cp,liquid | 555.30 | J/mol×K | 293.95 | NIST |
| ΔvapH | 43.40 ± 0.50 | kJ/mol | 482.00 | NIST |
Similar Compounds
Find more compounds similar to 6,10,14-Trimethylpentadeca-3,5-diene-2-one.
Sources
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