- InChI
- InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
- InChI Key
- IIUXHTGBZYEGHI-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CC(C)CCCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 270.46
- CAS
- 1603-03-8
- 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).
- I : 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 |
|---|---|---|---|
| ω | 1.0391 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.798 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1319.43 | kPa | Joback Calculated Property |
| I | [2980.00; 2980.00] |
|
|
| I | 2980.00 | NIST | |
| I | 2980.00 | NIST | |
| Tboil | 596.04 | K | Relay (1.0) Calculated Property |
| Tc | 795.83 | K | Relay (1.0) Calculated Property |
| Tfus | 337.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.986 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.42; 907.69] | 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 | -9.64700e+00 | |||
| Coefficient B | 1.67554e+00 | |||
| Coefficient C | -9.76800e-04 | |||
| Coefficient D | 2.18600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 379.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 624.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 688.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 744.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 794.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 837.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 874.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 907.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012915; 0.0001565] | Pa×s | [426.95; 638.72] |
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 | -1.30179e+01 | |||
| Coefficient B | 2.71792e+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. | 426.95 | |||
| Temperature range, max. | 638.72 | |||
| η | 0.0012915 | Pa×s | 426.95 | Calculated Property |
| η | 0.0009261 | Pa×s | 450.48 | Calculated Property |
| η | 0.0006864 | Pa×s | 474.01 | Calculated Property |
| η | 0.0005234 | Pa×s | 497.54 | Calculated Property |
| η | 0.0004090 | Pa×s | 521.07 | Calculated Property |
| η | 0.0003265 | Pa×s | 544.60 | Calculated Property |
| η | 0.0002655 | Pa×s | 568.13 | Calculated Property |
| η | 0.0002195 | Pa×s | 591.66 | Calculated Property |
| η | 0.0001841 | Pa×s | 615.19 | Calculated Property |
| η | 0.0001565 | Pa×s | 638.72 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [495.32; 662.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65953e+01 | |||
| Coefficient B | -6.12828e+03 | |||
| Coefficient C | -1.19529e+02 | |||
| Temperature range, min. | 495.32 | |||
| Temperature range, max. | 662.63 | |||
| Pvap | 1.33 | kPa | 495.32 | Calculated Property |
| Pvap | 2.88 | kPa | 513.91 | Calculated Property |
| Pvap | 5.79 | kPa | 532.50 | Calculated Property |
| Pvap | 10.97 | kPa | 551.09 | Calculated Property |
| Pvap | 19.72 | kPa | 569.68 | Calculated Property |
| Pvap | 33.83 | kPa | 588.27 | Calculated Property |
| Pvap | 55.71 | kPa | 606.86 | Calculated Property |
| Pvap | 88.43 | kPa | 625.45 | Calculated Property |
| Pvap | 135.84 | kPa | 644.04 | Calculated Property |
| Pvap | 202.64 | kPa | 662.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 15-methylhexadecanoic acid.
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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