- InChI
- InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
- InChI Key
- SZHOJFHSIKHZHA-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 214.35
- CAS
- 638-53-9
- Other Names
-
- N-TRIDECYLIC ACID
- Tridecanoic acid
- Tridecylic acid
- n-Tridecoic acid
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.9349 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -8024.20 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -285.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.57 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 141.00 | kJ/mol | NIST |
| ΔvapH° | 102.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.382 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1748.88 ± 85.00 | kPa | NIST |
| Inp | [277.60; 1680.00] |
|
|
| Inp | 1662.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1667.20 | NIST | |
| Inp | 1651.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | Outlier 278.19 | NIST | |
| Inp | Outlier 277.60 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1667.20 | NIST | |
| Ip | [2570.00; 2664.00] |
|
|
| Ip | 2573.00 | NIST | |
| Ip | 2603.00 | NIST | |
| Ip | 2651.00 | NIST | |
| Ip | 2570.00 | NIST | |
| Ip | 2664.00 | NIST | |
| Ip | 2617.00 | NIST | |
| Ip | 2617.00 | NIST | |
| Ip | 2617.00 | NIST | |
| Ip | 2617.00 | NIST | |
| Ip | 2573.00 | NIST | |
| Ip | 2617.00 | NIST | |
| Tboil | 567.09 | K | Relay (1.0) Calculated Property |
| Tc | 754.01 ± 3.00 | K | NIST |
| Tfus | [313.70; 317.65] | K |
|
| Tfus | 317.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 314.95 ± 0.35 | K | NIST |
| Tfus | 315.10 ± 0.05 | K | NIST |
| Tfus | 314.65 ± 2.00 | K | NIST |
| Tfus | 313.70 ± 3.00 | K | NIST |
| Ttriple | [315.01; 315.01] | K |
|
| Ttriple | 315.01 ± 0.02 | K | NIST |
| Ttriple | 315.01 ± 0.02 | K | NIST |
| Vc | 0.786 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 387.60 | J/mol×K | 298.15 | NIST |
| ΔfusH | [8.72; 33.74] | kJ/mol | [307.10; 315.00] |
|
| ΔfusH | 8.72 | kJ/mol | 307.10 | NIST |
| ΔfusH | 33.00 | kJ/mol | 314.60 | NIST |
| ΔfusH | 33.74 | kJ/mol | 315.00 | NIST |
| ΔfusH | 33.74 | kJ/mol | 315.00 | NIST |
| ΔsubH | [112.50; 170.00] | kJ/mol | [276.50; 290.50] |
|
| ΔsubH | 112.50 | kJ/mol | 276.50 | NIST |
| ΔsubH | 170.00 | kJ/mol | 290.50 | NIST |
| ΔvapH | [90.10; 100.40] | kJ/mol | [339.00; 497.00] |
|
| ΔvapH | 100.40 ± 2.00 | kJ/mol | 339.00 | NIST |
| ΔvapH | 90.10 | kJ/mol | 497.00 | NIST |
| ΔfusS | [28.41; 107.11] | J/mol×K | [307.10; 315.00] |
|
| ΔfusS | 28.41 | J/mol×K | 307.10 | NIST |
| ΔfusS | 107.11 | J/mol×K | 315.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 509.20 | K | 13.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.88; 700.79] | 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 | -4.32900e+00 | |||
| Coefficient B | 1.28962e+00 | |||
| Coefficient C | -7.56000e-04 | |||
| Coefficient D | 1.71500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 294.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 364.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 427.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 482.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 532.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 575.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 613.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 646.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 675.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 700.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0066530; 0.0003505] | Pa×s | [315.21; 527.81] |
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 | -1.23204e+01 | |||
| Coefficient B | 2.30346e+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. | 315.21 | |||
| Temperature range, max. | 527.81 | |||
| η | 0.0066530 | Pa×s | 315.21 | Calculated Property |
| η | 0.0039972 | Pa×s | 338.83 | Calculated Property |
| η | 0.0025665 | Pa×s | 362.45 | Calculated Property |
| η | 0.0017397 | Pa×s | 386.08 | Calculated Property |
| η | 0.0012333 | Pa×s | 409.70 | Calculated Property |
| η | 0.0009077 | Pa×s | 433.32 | Calculated Property |
| η | 0.0006896 | Pa×s | 456.94 | Calculated Property |
| η | 0.0005383 | Pa×s | 480.56 | Calculated Property |
| η | 0.0004300 | Pa×s | 504.19 | Calculated Property |
| η | 0.0003505 | Pa×s | 527.81 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [450.44; 611.08] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61483e+01 | |||
| Coefficient B | -5.49585e+03 | |||
| Coefficient C | -1.03933e+02 | |||
| Temperature range, min. | 450.44 | |||
| Temperature range, max. | 611.08 | |||
| Pvap | 1.33 | kPa | 450.44 | Calculated Property |
| Pvap | 2.90 | kPa | 468.29 | Calculated Property |
| Pvap | 5.86 | kPa | 486.14 | Calculated Property |
| Pvap | 11.14 | kPa | 503.99 | Calculated Property |
| Pvap | 20.03 | kPa | 521.84 | Calculated Property |
| Pvap | 34.33 | kPa | 539.68 | Calculated Property |
| Pvap | 56.39 | kPa | 557.53 | Calculated Property |
| Pvap | 89.21 | kPa | 575.38 | Calculated Property |
| Pvap | 136.49 | kPa | 593.23 | Calculated Property |
| Pvap | 202.66 | kPa | 611.08 | Calculated Property |
| Pvap | [0.10; 75.46] | kPa | [409.15; 573.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.05091e+02 | |||
| Coefficient B | -3.06996e+04 | |||
| Coefficient C | -5.59672e+01 | |||
| Coefficient D | 2.51191e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 409.15 | |||
| Temperature range, max. | 573.15 | |||
| Pvap | 0.10 | kPa | 409.15 | Calculated Property |
| Pvap | 0.31 | kPa | 427.37 | Calculated Property |
| Pvap | 0.83 | kPa | 445.59 | Calculated Property |
| Pvap | 2.00 | kPa | 463.82 | Calculated Property |
| Pvap | 4.37 | kPa | 482.04 | Calculated Property |
| Pvap | 8.73 | kPa | 500.26 | Calculated Property |
| Pvap | 16.24 | kPa | 518.48 | Calculated Property |
| Pvap | 28.43 | kPa | 536.71 | Calculated Property |
| Pvap | 47.31 | kPa | 554.93 | Calculated Property |
| Pvap | 75.46 | kPa | 573.15 | Calculated Property |
| Pvap | [0.13; 101.74] | kPa | [411.00; 572.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.90312e+01 | |||
| Coefficient B | -7.36037e+03 | |||
| Coefficient C | -6.11740e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 411.00 | |||
| Temperature range, max. | 572.00 | |||
| Pvap | 0.13 | kPa | 411.00 | Calculated Property |
| Pvap | 0.37 | kPa | 428.89 | Calculated Property |
| Pvap | 0.94 | kPa | 446.78 | Calculated Property |
| Pvap | 2.20 | kPa | 464.67 | Calculated Property |
| Pvap | 4.78 | kPa | 482.56 | Calculated Property |
| Pvap | 9.73 | kPa | 500.44 | Calculated Property |
| Pvap | 18.75 | kPa | 518.33 | Calculated Property |
| Pvap | 34.37 | kPa | 536.22 | Calculated Property |
| Pvap | 60.31 | kPa | 554.11 | Calculated Property |
| Pvap | 101.74 | kPa | 572.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-TRIDECANOIC ACID.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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