- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -36.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.18 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen 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 | 642.23 | K | Joback Calculated Property |
| Tc | 809.06 | K | Joback Calculated Property |
| Tfus | 331.28 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.79; 800.76] | J/mol×K | [642.23; 809.06] | 
|
| Cp,gas | 700.79 | J/mol×K | 642.23 | Joback Calculated Property |
| Cp,gas | 719.37 | J/mol×K | 670.04 | Joback Calculated Property |
| Cp,gas | 737.15 | J/mol×K | 697.84 | Joback Calculated Property |
| Cp,gas | 754.16 | J/mol×K | 725.65 | Joback Calculated Property |
| Cp,gas | 770.42 | J/mol×K | 753.45 | Joback Calculated Property |
| Cp,gas | 785.94 | J/mol×K | 781.26 | Joback Calculated Property |
| Cp,gas | 800.76 | J/mol×K | 809.06 | Joback Calculated Property |
| η | [0.0001395; 0.0032643] | Pa×s | [331.28; 642.23] |
|
| η | 0.0032643 | Pa×s | 331.28 | Joback Calculated Property |
| η | 0.0013527 | Pa×s | 383.11 | Joback Calculated Property |
| η | 0.0006915 | Pa×s | 434.93 | Joback Calculated Property |
| η | 0.0004078 | Pa×s | 486.75 | Joback Calculated Property |
| η | 0.0002662 | Pa×s | 538.58 | Joback Calculated Property |
| η | 0.0001873 | Pa×s | 590.40 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 642.23 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [449.08; 631.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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