- InChI
- InChI=1S/C10H18O2/c1-7(2)5-9(11)6-10(12)8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- QVXCBARKVVWYOM-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)CC(=O)CC(=O)C(C)C
- Molecular Weight1
- 170.25
- CAS
- 7307-07-5
- Other Names
-
- 2,7-Dimethyloctane-3,5-dione
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.4869 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.217 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Inp | [1165.20; 1165.20] |
|
|
| Inp | 1165.20 | NIST | |
| Inp | 1165.20 | NIST | |
| Tboil | 471.78 | K | Relay (1.0) Calculated Property |
| Tc | 666.21 | K | Relay (1.0) Calculated Property |
| Tfus | 316.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.553 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.42; 441.12] | J/mol×K | [535.06; 724.34] |
|
| Cp,gas | 365.42 | J/mol×K | 535.06 | Joback Calculated Property |
| Cp,gas | 379.67 | J/mol×K | 566.61 | Joback Calculated Property |
| Cp,gas | 393.24 | J/mol×K | 598.15 | Joback Calculated Property |
| Cp,gas | 406.15 | J/mol×K | 629.70 | Joback Calculated Property |
| Cp,gas | 418.43 | J/mol×K | 661.25 | Joback Calculated Property |
| Cp,gas | 430.08 | J/mol×K | 692.79 | Joback Calculated Property |
| Cp,gas | 441.12 | J/mol×K | 724.34 | Joback Calculated Property |
| η | [0.0002579; 0.0068659] | Pa×s | [272.32; 535.06] |
|
| η | 0.0068659 | Pa×s | 272.32 | Joback Calculated Property |
| η | 0.0027202 | Pa×s | 316.11 | Joback Calculated Property |
| η | 0.0013501 | Pa×s | 359.90 | Joback Calculated Property |
| η | 0.0007800 | Pa×s | 403.69 | Joback Calculated Property |
| η | 0.0005018 | Pa×s | 447.48 | Joback Calculated Property |
| η | 0.0003492 | Pa×s | 491.27 | Joback Calculated Property |
| η | 0.0002579 | Pa×s | 535.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Octanedione, 2,7-dimethyl-.
Sources
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