- InChI
- InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3
- InChI Key
- ILPNRWUGFSPGAA-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CCCC(=O)CC(C)=O
- Molecular Weight1
- 128.17
- CAS
- 7307-02-0
- Other Names
-
- Butanoylacetone
- Butyrylacetone
- heptane-2,4-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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4632 | Relay (1.0) Calculated Property | |
| ΔfG° | -249.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | [977.42; 991.08] |
|
|
| Inp | 977.42 | NIST | |
| Inp | 982.81 | NIST | |
| Inp | 983.82 | NIST | |
| Inp | 991.08 | NIST | |
| Tboil | 447.20 | K | NIST |
| Tc | 643.96 | K | Relay (1.0) Calculated Property |
| Tfus | 282.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.41; 290.80] | J/mol×K | [467.50; 655.33] |
|
| Cp,gas | 233.41 | J/mol×K | 467.50 | Joback Calculated Property |
| Cp,gas | 244.12 | J/mol×K | 498.81 | Joback Calculated Property |
| Cp,gas | 254.35 | J/mol×K | 530.11 | Joback Calculated Property |
| Cp,gas | 264.13 | J/mol×K | 561.42 | Joback Calculated Property |
| Cp,gas | 273.45 | J/mol×K | 592.72 | Joback Calculated Property |
| Cp,gas | 282.34 | J/mol×K | 624.03 | Joback Calculated Property |
| Cp,gas | 290.80 | J/mol×K | 655.33 | Joback Calculated Property |
| η | [0.0003504; 0.0035564] | Pa×s | [268.51; 467.50] |
|
| η | 0.0035564 | Pa×s | 268.51 | Joback Calculated Property |
| η | 0.0019546 | Pa×s | 301.67 | Joback Calculated Property |
| η | 0.0012095 | Pa×s | 334.84 | Joback Calculated Property |
| η | 0.0008161 | Pa×s | 368.00 | Joback Calculated Property |
| η | 0.0005876 | Pa×s | 401.17 | Joback Calculated Property |
| η | 0.0004449 | Pa×s | 434.33 | Joback Calculated Property |
| η | 0.0003504 | Pa×s | 467.50 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 343.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Heptanedione.
Sources
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