- InChI
- InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h13-15H,2-12H2,1H3/b14-13+
- InChI Key
- MLTULPRRIKTZBN-BUHFOSPRSA-N
- Formula
- C15H28O
- SMILES
- CCCCCCCCCCCCC=CC=O
- Molecular Weight1
- 224.38
- 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 | 0.7162 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.053 | Crippen Calculated Property | |
| McVol | 219.480 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [1750.00; 1751.00] |
|
|
| Inp | 1751.00 | NIST | |
| Inp | 1750.00 | NIST | |
| Tboil | 556.45 | K | Relay (1.0) Calculated Property |
| Tc | 755.56 | K | Relay (1.0) Calculated Property |
| Tfus | 285.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.841 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.60; 753.39] | 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 | -1.35290e+01 | |||
| Coefficient B | 1.42332e+00 | |||
| Coefficient C | -8.69000e-04 | |||
| Coefficient D | 2.12600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 314.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 390.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 458.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 518.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 571.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 617.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 658.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 694.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 725.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 753.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040996; 0.0002333] | Pa×s | [295.73; 535.85] |
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 | -1.18936e+01 | |||
| Coefficient B | 1.89171e+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. | 295.73 | |||
| Temperature range, max. | 535.85 | |||
| η | 0.0040996 | Pa×s | 295.73 | Calculated Property |
| η | 0.0024146 | Pa×s | 322.41 | Calculated Property |
| η | 0.0015420 | Pa×s | 349.09 | Calculated Property |
| η | 0.0010495 | Pa×s | 375.77 | Calculated Property |
| η | 0.0007517 | Pa×s | 402.45 | Calculated Property |
| η | 0.0005612 | Pa×s | 429.13 | Calculated Property |
| η | 0.0004336 | Pa×s | 455.81 | Calculated Property |
| η | 0.0003447 | Pa×s | 482.49 | Calculated Property |
| η | 0.0002807 | Pa×s | 509.17 | Calculated Property |
| η | 0.0002333 | Pa×s | 535.85 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-pentadecenal.
Sources
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