- InChI
- InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3-16H2,1-2H3
- InChI Key
- UIDOOQRSFZDBLK-UHFFFAOYSA-N
- Formula
- C17H34O
- SMILES
- CCCCCCCCCCCCCC(=O)CCC
- Molecular Weight1
- 254.45
- CAS
- 53685-77-1
- Other Names
-
- heptadecan-4-one
- 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).
- Pvap : Vapor 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 | 0.8026 | Relay (1.0) Calculated Property | |
| ΔfG° | -36.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.057 | Crippen Calculated Property | |
| McVol | 251.960 | ml/mol | McGowan Calculated Property |
| Pc | 1287.44 | kPa | Joback Calculated Property |
| Tboil | 567.76 | K | Relay (1.0) Calculated Property |
| Tc | 757.94 | K | Relay (1.0) Calculated Property |
| Tfus | 313.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.983 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.04; 885.39] | 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 | -5.20600e+00 | |||
| Coefficient B | 1.59084e+00 | |||
| Coefficient C | -8.82300e-04 | |||
| Coefficient D | 1.82060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 455.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 534.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 605.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 668.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 723.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 772.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 815.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 853.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 885.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047592; 0.0002185] | Pa×s | [313.15; 566.52] |
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 | -1.22369e+01 | |||
| Coefficient B | 2.15735e+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. | 313.15 | |||
| Temperature range, max. | 566.52 | |||
| η | 0.0047592 | Pa×s | 313.15 | Calculated Property |
| η | 0.0026962 | Pa×s | 341.30 | Calculated Property |
| η | 0.0016656 | Pa×s | 369.45 | Calculated Property |
| η | 0.0011016 | Pa×s | 397.61 | Calculated Property |
| η | 0.0007695 | Pa×s | 425.76 | Calculated Property |
| η | 0.0005620 | Pa×s | 453.91 | Calculated Property |
| η | 0.0004258 | Pa×s | 482.06 | Calculated Property |
| η | 0.0003326 | Pa×s | 510.22 | Calculated Property |
| η | 0.0002666 | Pa×s | 538.37 | Calculated Property |
| η | 0.0002185 | Pa×s | 566.52 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [449.08; 631.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47776e+01 | |||
| Coefficient B | -4.98789e+03 | |||
| Coefficient C | -1.04850e+02 | |||
| Temperature range, min. | 449.08 | |||
| Temperature range, max. | 631.77 | |||
| Pvap | 1.33 | kPa | 449.08 | Calculated Property |
| Pvap | 2.99 | kPa | 469.38 | Calculated Property |
| Pvap | 6.15 | kPa | 489.68 | Calculated Property |
| Pvap | 11.77 | kPa | 509.98 | Calculated Property |
| Pvap | 21.18 | kPa | 530.28 | Calculated Property |
| Pvap | 36.13 | kPa | 550.57 | Calculated Property |
| Pvap | 58.82 | kPa | 570.87 | Calculated Property |
| Pvap | 91.95 | kPa | 591.17 | Calculated Property |
| Pvap | 138.68 | kPa | 611.47 | Calculated Property |
| Pvap | 202.65 | kPa | 631.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptadecanone.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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