- InChI
- InChI=1S/C15H30O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h3-14H2,1-2H3
- InChI Key
- YSHXMTRDMDYAEC-UHFFFAOYSA-N
- Formula
- C15H30O
- SMILES
- CCCCCCCCCC(=O)CCCCC
- Molecular Weight1
- 226.40
- CAS
- 1001-45-2
- Other Names
-
- pentadecan-6-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 | 0.7324 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.277 | Crippen Calculated Property | |
| McVol | 223.780 | ml/mol | McGowan Calculated Property |
| Pc | 1485.00 | kPa | Joback Calculated Property |
| Tboil | 548.72 | K | Relay (1.0) Calculated Property |
| Tc | 738.48 | K | Relay (1.0) Calculated Property |
| Tfus | 307.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.867 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.61; 782.21] | 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 | -3.38800e+00 | |||
| Coefficient B | 1.40084e+00 | |||
| Coefficient C | -7.73500e-04 | |||
| Coefficient D | 1.58260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 324.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 402.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 472.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 534.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 590.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 639.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 682.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 720.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 753.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 782.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037799; 0.0002550] | Pa×s | [308.74; 534.86] |
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 | -1.19557e+01 | |||
| Coefficient B | 1.96903e+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. | 308.74 | |||
| Temperature range, max. | 534.86 | |||
| η | 0.0037799 | Pa×s | 308.74 | Calculated Property |
| η | 0.0023391 | Pa×s | 333.86 | Calculated Property |
| η | 0.0015481 | Pa×s | 358.99 | Calculated Property |
| η | 0.0010814 | Pa×s | 384.11 | Calculated Property |
| η | 0.0007894 | Pa×s | 409.24 | Calculated Property |
| η | 0.0005976 | Pa×s | 434.36 | Calculated Property |
| η | 0.0004664 | Pa×s | 459.49 | Calculated Property |
| η | 0.0003735 | Pa×s | 484.61 | Calculated Property |
| η | 0.0003057 | Pa×s | 509.73 | Calculated Property |
| η | 0.0002550 | Pa×s | 534.86 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [430.60; 598.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52290e+01 | |||
| Coefficient B | -4.96312e+03 | |||
| Coefficient C | -9.84280e+01 | |||
| Temperature range, min. | 430.60 | |||
| Temperature range, max. | 598.87 | |||
| Pvap | 1.33 | kPa | 430.60 | Calculated Property |
| Pvap | 2.96 | kPa | 449.30 | Calculated Property |
| Pvap | 6.05 | kPa | 467.99 | Calculated Property |
| Pvap | 11.54 | kPa | 486.69 | Calculated Property |
| Pvap | 20.77 | kPa | 505.39 | Calculated Property |
| Pvap | 35.48 | kPa | 524.08 | Calculated Property |
| Pvap | 57.96 | kPa | 542.78 | Calculated Property |
| Pvap | 90.98 | kPa | 561.48 | Calculated Property |
| Pvap | 137.92 | kPa | 580.17 | Calculated Property |
| Pvap | 202.67 | kPa | 598.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Pentadecanone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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