- InChI
- InChI=1S/C8H14O2/c1-4-7(9)6(3)8(10)5-2/h6H,4-5H2,1-3H3
- InChI Key
- FIJLPSJMPXGRJL-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CCC(=O)C(C)C(=O)CC
- Molecular Weight1
- 142.20
- CAS
- 1187-04-8
- 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 | 0.4302 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.581 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Inp | [1055.90; 1055.90] |
|
|
| Inp | 1055.90 | NIST | |
| Inp | 1055.90 | NIST | |
| Tboil | 458.64 | K | Relay (1.0) Calculated Property |
| Tc | 640.97 | K | Relay (1.0) Calculated Property |
| Tfus | 329.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.73; 410.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.65200e+00 | |||
| Coefficient B | 7.13760e-01 | |||
| Coefficient C | -3.77200e-04 | |||
| Coefficient D | 6.54200e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 252.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 285.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 313.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 396.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 410.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050267; 0.0003480] | Pa×s | [264.78; 475.86] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13128e+01 | |||
| Coefficient B | 1.59392e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 264.78 | |||
| Temperature range, max. | 475.86 | |||
| η | 0.0050267 | Pa×s | 264.78 | Calculated Property |
| η | 0.0030800 | Pa×s | 288.23 | Calculated Property |
| η | 0.0020316 | Pa×s | 311.69 | Calculated Property |
| η | 0.0014204 | Pa×s | 335.14 | Calculated Property |
| η | 0.0010407 | Pa×s | 358.60 | Calculated Property |
| η | 0.0007922 | Pa×s | 382.05 | Calculated Property |
| η | 0.0006223 | Pa×s | 405.50 | Calculated Property |
| η | 0.0005020 | Pa×s | 428.96 | Calculated Property |
| η | 0.0004140 | Pa×s | 452.41 | Calculated Property |
| η | 0.0003480 | Pa×s | 475.86 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylheptane-3,5-dione.
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