- InChI
- InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3
- InChI Key
- OCHYRSKMMMYUMI-UHFFFAOYSA-N
- Formula
- C14H28O
- SMILES
- CCCCCCCCCCCC(=O)CC
- Molecular Weight1
- 212.38
- CAS
- 629-23-2
- Other Names
-
- tetradecan-3-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).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6965 | Relay (1.0) Calculated Property | |
| ΔfG° | -61.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.886 | Crippen Calculated Property | |
| McVol | 209.690 | ml/mol | McGowan Calculated Property |
| Pc | 1601.28 | kPa | Joback Calculated Property |
| ρc | 237.86 ± 6.37 | kg/m3 | NIST |
| Inp | [1568.00; 1585.00] |
|
|
| Inp | 1585.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1568.00 | NIST | |
| Inp | 1585.00 | NIST | |
| Inp | 1568.00 | NIST | |
| Ip | [1855.00; 1855.00] |
|
|
| Ip | 1855.00 | NIST | |
| Ip | 1855.00 | NIST | |
| Tboil | 540.04 | K | Relay (1.0) Calculated Property |
| Tc | [726.80; 727.00] | K |
|
| Tc | 727.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 726.80 ± 3.70 | K | NIST |
| Tfus | 307.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.896 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 425.20 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.40; 730.62] | 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 | -2.47900e+00 | |||
| Coefficient B | 1.30584e+00 | |||
| Coefficient C | -7.19100e-04 | |||
| Coefficient D | 1.46360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 375.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 441.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 499.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 551.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 597.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 637.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 673.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 703.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 730.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032910; 0.0002928] | Pa×s | [307.15; 508.83] |
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 | -1.18206e+01 | |||
| Coefficient B | 1.87487e+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. | 307.15 | |||
| Temperature range, max. | 508.83 | |||
| η | 0.0032910 | Pa×s | 307.15 | Calculated Property |
| η | 0.0021731 | Pa×s | 329.56 | Calculated Property |
| η | 0.0015128 | Pa×s | 351.97 | Calculated Property |
| η | 0.0010998 | Pa×s | 374.38 | Calculated Property |
| η | 0.0008288 | Pa×s | 396.79 | Calculated Property |
| η | 0.0006438 | Pa×s | 419.19 | Calculated Property |
| η | 0.0005131 | Pa×s | 441.60 | Calculated Property |
| η | 0.0004180 | Pa×s | 464.01 | Calculated Property |
| η | 0.0003470 | Pa×s | 486.42 | Calculated Property |
| η | 0.0002928 | Pa×s | 508.83 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [419.72; 581.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53929e+01 | |||
| Coefficient B | -4.91033e+03 | |||
| Coefficient C | -9.46480e+01 | |||
| Temperature range, min. | 419.72 | |||
| Temperature range, max. | 581.71 | |||
| Pvap | 1.33 | kPa | 419.72 | Calculated Property |
| Pvap | 2.94 | kPa | 437.72 | Calculated Property |
| Pvap | 6.01 | kPa | 455.72 | Calculated Property |
| Pvap | 11.46 | kPa | 473.72 | Calculated Property |
| Pvap | 20.62 | kPa | 491.72 | Calculated Property |
| Pvap | 35.26 | kPa | 509.71 | Calculated Property |
| Pvap | 57.65 | kPa | 527.71 | Calculated Property |
| Pvap | 90.64 | kPa | 545.71 | Calculated Property |
| Pvap | 137.63 | kPa | 563.71 | Calculated Property |
| Pvap | 202.64 | kPa | 581.71 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Tetradecanone.
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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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