- InChI
- InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7H,5,8,10H2,1-4H3
- InChI Key
- KLTSFSBBACTSHL-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CC(=O)CC=C=C(C)CCC=C(C)C
- Molecular Weight1
- 192.30
- CAS
- 16647-05-5
- ΔcH°solid : Standard solid 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°solid : Solid 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°solid | -7781.60 ± 2.50 | kJ/mol | NIST |
| ΔfG° | 201.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -46.59 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -192.10 ± 2.50 | kJ/mol | NIST |
| ΔfusH° | 30.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.813 | Crippen Calculated Property | |
| McVol | 182.700 | ml/mol | McGowan Calculated Property |
| Pc | 2071.76 | kPa | Joback Calculated Property |
| Tboil | 562.06 | K | Joback Calculated Property |
| Tc | 760.95 | K | Joback Calculated Property |
| Tfus | 254.63 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.27; 516.64] | J/mol×K | [562.06; 760.95] | 
|
| Cp,gas | 432.27 | J/mol×K | 562.06 | Joback Calculated Property |
| Cp,gas | 448.28 | J/mol×K | 595.21 | Joback Calculated Property |
| Cp,gas | 463.46 | J/mol×K | 628.36 | Joback Calculated Property |
| Cp,gas | 477.85 | J/mol×K | 661.50 | Joback Calculated Property |
| Cp,gas | 491.48 | J/mol×K | 694.65 | Joback Calculated Property |
| Cp,gas | 504.40 | J/mol×K | 727.80 | Joback Calculated Property |
| Cp,gas | 516.64 | J/mol×K | 760.95 | Joback Calculated Property |
| Cp,liquid | 413.40 | J/mol×K | 313.65 | NIST |
| ΔvapH | 63.60 ± 1.40 | kJ/mol | 385.00 | NIST |
Similar Compounds
Find more compounds similar to 6,10-Dimethyl-4,5,9-undecatrien-2-one.
Sources
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