- InChI
- InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
- InChI Key
- UNRFDARCMOHDBJ-UHFFFAOYSA-N
- Formula
- C31H62O
- SMILES
-
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCC
CCCCC - Molecular Weight1
- 450.82
- CAS
- 502-73-8
- Other Names
-
- 16-Hentricontanone
- Dipentadecyl ketone
- Hentricontan-16-one
- NSC 953
- Palmitone
- Pentadecyl ketone
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | 81.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 77.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.35 | kJ/mol | Joback Calculated Property |
| log10WS | -12.08 | Crippen Calculated Property | |
| logPoct/wat | 11.518 | Crippen Calculated Property | |
| McVol | 449.220 | ml/mol | McGowan Calculated Property |
| Pc | 585.99 | kPa | Joback Calculated Property |
| Inp | [3304.20; 3304.20] |
|
|
| Inp | 3304.20 | NIST | |
| Inp | 3304.20 | NIST | |
| Tboil | 962.55 | K | Joback Calculated Property |
| Tc | 1197.11 | K | Joback Calculated Property |
| Tfus | 356.40 ± 0.50 | K | NIST |
| Vc | 1.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1581.38; 1720.95] | J/mol×K | [962.55; 1197.11] |
|
| Cp,gas | 1581.38 | J/mol×K | 962.55 | Joback Calculated Property |
| Cp,gas | 1608.78 | J/mol×K | 1001.64 | Joback Calculated Property |
| Cp,gas | 1634.36 | J/mol×K | 1040.74 | Joback Calculated Property |
| Cp,gas | 1658.24 | J/mol×K | 1079.83 | Joback Calculated Property |
| Cp,gas | 1680.55 | J/mol×K | 1118.92 | Joback Calculated Property |
| Cp,gas | 1701.41 | J/mol×K | 1158.02 | Joback Calculated Property |
| Cp,gas | 1720.95 | J/mol×K | 1197.11 | Joback Calculated Property |
| η | [0.0000196; 0.0006463] | Pa×s | [489.06; 962.55] |
|
| η | 0.0006463 | Pa×s | 489.06 | Joback Calculated Property |
| η | 0.0002408 | Pa×s | 567.98 | Joback Calculated Property |
| η | 0.0001141 | Pa×s | 646.89 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 725.80 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 804.72 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 883.63 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 962.55 | Joback Calculated Property |
| ΔfusH | 117.10 | kJ/mol | 356.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [620.92; 786.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.91463e+01 | |||
| Coefficient B | -8.60629e+03 | |||
| Coefficient C | -1.64565e+02 | |||
| Temperature range, min. | 620.92 | |||
| Temperature range, max. | 786.64 | |||
| Pvap | 1.33 | kPa | 620.92 | Calculated Property |
| Pvap | 2.77 | kPa | 639.33 | Calculated Property |
| Pvap | 5.45 | kPa | 657.75 | Calculated Property |
| Pvap | 10.22 | kPa | 676.16 | Calculated Property |
| Pvap | 18.33 | kPa | 694.57 | Calculated Property |
| Pvap | 31.61 | kPa | 712.99 | Calculated Property |
| Pvap | 52.63 | kPa | 731.40 | Calculated Property |
| Pvap | 84.86 | kPa | 749.81 | Calculated Property |
| Pvap | 132.89 | kPa | 768.23 | Calculated Property |
| Pvap | 202.66 | kPa | 786.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 16-Hentriacontanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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