- InChI
- InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h3H,1,4-7H2,2H3
- InChI Key
- RXHCEQYNSQNEOK-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- C=CCCCCC(C)=O
- Molecular Weight1
- 126.20
- 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 | 0.4361 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | 1097.00 | NIST | |
| Tboil | 448.57 | K | Relay (1.0) Calculated Property |
| Tc | 637.21 | K | Relay (1.0) Calculated Property |
| Tfus | 236.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.31; 392.56] | 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 | -1.60000e-02 | |||
| Coefficient B | 7.15820e-01 | |||
| Coefficient C | -4.15600e-04 | |||
| Coefficient D | 9.23600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 298.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 343.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 362.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 378.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038763; 0.0003018] | Pa×s | [228.09; 428.59] |
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 | -1.10101e+01 | |||
| Coefficient B | 1.24475e+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. | 228.09 | |||
| Temperature range, max. | 428.59 | |||
| η | 0.0038763 | Pa×s | 228.09 | Calculated Property |
| η | 0.0023852 | Pa×s | 250.37 | Calculated Property |
| η | 0.0015889 | Pa×s | 272.65 | Calculated Property |
| η | 0.0011255 | Pa×s | 294.92 | Calculated Property |
| η | 0.0008368 | Pa×s | 317.20 | Calculated Property |
| η | 0.0006468 | Pa×s | 339.48 | Calculated Property |
| η | 0.0005161 | Pa×s | 361.76 | Calculated Property |
| η | 0.0004227 | Pa×s | 384.04 | Calculated Property |
| η | 0.0003539 | Pa×s | 406.31 | Calculated Property |
| η | 0.0003018 | Pa×s | 428.59 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Octen-2-one.
Sources
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