- InChI
- InChI=1S/C9H18O/c1-4-7-9(10)8(5-2)6-3/h8H,4-7H2,1-3H3
- InChI Key
- QMQBUTKELHAKRH-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCC(=O)C(CC)CC
- Molecular Weight1
- 142.24
- 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).
- 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 | 0.4464 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2472.73 | kPa | Joback Calculated Property |
| Tboil | 441.11 | K | Relay (1.0) Calculated Property |
| Tc | 633.72 | K | Relay (1.0) Calculated Property |
| Tfus | 218.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.497 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.02; 473.20] | 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 | 3.84000e-01 | |||
| Coefficient B | 8.36760e-01 | |||
| Coefficient C | -4.50300e-04 | |||
| Coefficient D | 8.63600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 243.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 387.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 436.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 456.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 473.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0068479; 0.0002956] | Pa×s | [226.12; 445.84] |
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 | -1.13605e+01 | |||
| Coefficient B | 1.44189e+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. | 226.12 | |||
| Temperature range, max. | 445.84 | |||
| η | 0.0068479 | Pa×s | 226.12 | Calculated Property |
| η | 0.0036787 | Pa×s | 250.53 | Calculated Property |
| η | 0.0022068 | Pa×s | 274.95 | Calculated Property |
| η | 0.0014389 | Pa×s | 299.36 | Calculated Property |
| η | 0.0010007 | Pa×s | 323.77 | Calculated Property |
| η | 0.0007323 | Pa×s | 348.19 | Calculated Property |
| η | 0.0005583 | Pa×s | 372.60 | Calculated Property |
| η | 0.0004400 | Pa×s | 397.01 | Calculated Property |
| η | 0.0003566 | Pa×s | 421.43 | Calculated Property |
| η | 0.0002956 | Pa×s | 445.84 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-4-heptanone.
Sources
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