- InChI
- InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
- InChI Key
- ZOCYQVNGROEVLU-UHFFFAOYSA-N
- Formula
- C15H30O2
- SMILES
- CC(C)CCCCCCCCCCCC(=O)O
- Molecular Weight1
- 242.40
- CAS
- 50973-09-6
- 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 | 0.9688 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -723.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.018 | Crippen Calculated Property | |
| McVol | 229.650 | ml/mol | McGowan Calculated Property |
| Pc | 1524.69 | kPa | Joback Calculated Property |
| I | 2776.00 | NIST | |
| Tboil | 581.61 | K | Relay (1.0) Calculated Property |
| Tc | 777.56 | K | Relay (1.0) Calculated Property |
| Tfus | 329.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.00; 804.51] | 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 | -7.82900e+00 | |||
| Coefficient B | 1.48554e+00 | |||
| Coefficient C | -8.68000e-04 | |||
| Coefficient D | 1.94800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 337.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 417.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 489.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 553.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 610.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 660.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 704.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 742.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 775.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 804.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015425; 0.0001920] | Pa×s | [404.41; 606.41] |
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 | -1.27294e+01 | |||
| Coefficient B | 2.52960e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 404.41 | |||
| Temperature range, max. | 606.41 | |||
| η | 0.0015425 | Pa×s | 404.41 | Calculated Property |
| η | 0.0011102 | Pa×s | 426.85 | Calculated Property |
| η | 0.0008257 | Pa×s | 449.30 | Calculated Property |
| η | 0.0006317 | Pa×s | 471.74 | Calculated Property |
| η | 0.0004951 | Pa×s | 494.19 | Calculated Property |
| η | 0.0003964 | Pa×s | 516.63 | Calculated Property |
| η | 0.0003233 | Pa×s | 539.07 | Calculated Property |
| η | 0.0002680 | Pa×s | 561.52 | Calculated Property |
| η | 0.0002254 | Pa×s | 583.96 | Calculated Property |
| η | 0.0001920 | Pa×s | 606.41 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [470.52; 638.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60357e+01 | |||
| Coefficient B | -5.66316e+03 | |||
| Coefficient C | -1.10911e+02 | |||
| Temperature range, min. | 470.52 | |||
| Temperature range, max. | 638.98 | |||
| Pvap | 1.33 | kPa | 470.52 | Calculated Property |
| Pvap | 2.91 | kPa | 489.24 | Calculated Property |
| Pvap | 5.88 | kPa | 507.96 | Calculated Property |
| Pvap | 11.18 | kPa | 526.67 | Calculated Property |
| Pvap | 20.11 | kPa | 545.39 | Calculated Property |
| Pvap | 34.46 | kPa | 564.11 | Calculated Property |
| Pvap | 56.56 | kPa | 582.83 | Calculated Property |
| Pvap | 89.40 | kPa | 601.54 | Calculated Property |
| Pvap | 136.63 | kPa | 620.26 | Calculated Property |
| Pvap | 202.64 | kPa | 638.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 13-methyltetradecanoic 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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