- InChI
- InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18/h18H,2-16H2,1H3
- InChI Key
- IXPKKBPRBYPTMW-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCCCCCCCCCC(=O)CO
- Molecular Weight1
- 270.46
- 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 | 1.0371 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.029 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1376.84 | kPa | Joback Calculated Property |
| Tboil | 596.11 | K | Relay (1.0) Calculated Property |
| Tc | 800.49 | K | Relay (1.0) Calculated Property |
| Tfus | 352.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.54; 904.06] | 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 | 8.50000e-02 | |||
| Coefficient B | 1.62482e+00 | |||
| Coefficient C | -9.12700e-04 | |||
| Coefficient D | 1.91860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 379.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 469.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 549.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 621.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 684.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 741.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 790.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 833.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 871.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 904.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029520; 0.0000681] | Pa×s | [392.10; 633.67] |
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 | -1.57129e+01 | |||
| Coefficient B | 3.87694e+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. | 392.10 | |||
| Temperature range, max. | 633.67 | |||
| η | 0.0029520 | Pa×s | 392.10 | Calculated Property |
| η | 0.0015668 | Pa×s | 418.94 | Calculated Property |
| η | 0.0008975 | Pa×s | 445.78 | Calculated Property |
| η | 0.0005477 | Pa×s | 472.62 | Calculated Property |
| η | 0.0003524 | Pa×s | 499.46 | Calculated Property |
| η | 0.0002372 | Pa×s | 526.31 | Calculated Property |
| η | 0.0001659 | Pa×s | 553.15 | Calculated Property |
| η | 0.0001200 | Pa×s | 579.99 | Calculated Property |
| η | 0.0000893 | Pa×s | 606.83 | Calculated Property |
| η | 0.0000681 | Pa×s | 633.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hydroxy heptadecanone-2.
Sources
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