- InChI
- InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
- InChI Key
- YYVJAABUJYRQJO-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CC(C)CCCCCCCCCCC(=O)O
- Molecular Weight1
- 228.37
- CAS
- 2724-57-4
- Other Names
-
- 12-METHYL TRICADENOIC ACID
- 12-methyltridecanoic acid
- 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 | 0.9337 | Relay (1.0) Calculated Property | |
| ΔfG° | -279.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.628 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1645.76 | kPa | Joback Calculated Property |
| I | [2657.00; 2657.00] |
|
|
| I | 2657.00 | NIST | |
| I | 2657.00 | NIST | |
| Tboil | 573.80 | K | Relay (1.0) Calculated Property |
| Tc | 767.38 | K | Relay (1.0) Calculated Property |
| Tfus | 328.00 ± 2.00 | K | NIST |
| Vc | 0.819 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.78; 752.92] | 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 | -6.92000e+00 | |||
| Coefficient B | 1.39054e+00 | |||
| Coefficient C | -8.13600e-04 | |||
| Coefficient D | 1.82900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 315.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 391.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 458.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 518.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 571.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 618.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 659.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 694.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 725.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 752.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057137; 0.0002102] | Pa×s | [328.00; 590.75] |
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 | -1.25900e+01 | |||
| Coefficient B | 2.43544e+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. | 328.00 | |||
| Temperature range, max. | 590.75 | |||
| η | 0.0057137 | Pa×s | 328.00 | Calculated Property |
| η | 0.0031143 | Pa×s | 357.19 | Calculated Property |
| η | 0.0018605 | Pa×s | 386.39 | Calculated Property |
| η | 0.0011949 | Pa×s | 415.58 | Calculated Property |
| η | 0.0008133 | Pa×s | 444.78 | Calculated Property |
| η | 0.0005805 | Pa×s | 473.97 | Calculated Property |
| η | 0.0004308 | Pa×s | 503.16 | Calculated Property |
| η | 0.0003304 | Pa×s | 532.36 | Calculated Property |
| η | 0.0002605 | Pa×s | 561.55 | Calculated Property |
| η | 0.0002102 | Pa×s | 590.75 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [458.12; 626.20] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58185e+01 | |||
| Coefficient B | -5.45940e+03 | |||
| Coefficient C | -1.06602e+02 | |||
| Temperature range, min. | 458.12 | |||
| Temperature range, max. | 626.20 | |||
| Pvap | 1.33 | kPa | 458.12 | Calculated Property |
| Pvap | 2.92 | kPa | 476.80 | Calculated Property |
| Pvap | 5.93 | kPa | 495.47 | Calculated Property |
| Pvap | 11.28 | kPa | 514.15 | Calculated Property |
| Pvap | 20.28 | kPa | 532.82 | Calculated Property |
| Pvap | 34.72 | kPa | 551.50 | Calculated Property |
| Pvap | 56.92 | kPa | 570.17 | Calculated Property |
| Pvap | 89.81 | kPa | 588.85 | Calculated Property |
| Pvap | 136.98 | kPa | 607.52 | Calculated Property |
| Pvap | 202.66 | kPa | 626.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecanoic acid, 12-methyl.
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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