- InChI
- InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
- InChI Key
- HQHCYKULIHKCEB-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- O=C(O)CCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 258.35
- CAS
- 821-38-5
- Other Names
-
- 1,12-dodecanedicarboxylic acid
- 1,14-tetradecanedioic acid
- Dodecamethylenedicarboxylic acid
- Tetradecane-1,14-dioic acid
- Tetradecanedicarboxylic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 1.1411 | Relay (1.0) Calculated Property | |
| ΔfG° | -620.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1003.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.50 | kJ/mol | Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16 |
| ΔvapH° | 127.40 ± 2.30 | kJ/mol | NIST |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.837 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1900.00 | kPa | Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14) |
| Tboil | 586.81 | K | Relay (1.0) Calculated Property |
| Tc | 815.14 | K | Relay (1.0) Calculated Property |
| Tfus | 400.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.866 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 56.50 | kJ/mol | 397.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.72; 763.16] | 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 | -6.38000e-01 | |||
| Coefficient B | 1.43540e+00 | |||
| Coefficient C | -8.83000e-04 | |||
| Coefficient D | 2.11400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 329.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 406.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 473.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 533.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 586.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 631.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 671.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 706.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 736.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 763.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051015; 0.0001685] | Pa×s | [400.15; 703.16] |
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 | -1.31917e+01 | |||
| Coefficient B | 3.16656e+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. | 400.15 | |||
| Temperature range, max. | 703.16 | |||
| η | 0.0051015 | Pa×s | 400.15 | Calculated Property |
| η | 0.0027605 | Pa×s | 433.82 | Calculated Property |
| η | 0.0016318 | Pa×s | 467.48 | Calculated Property |
| η | 0.0010353 | Pa×s | 501.15 | Calculated Property |
| η | 0.0006955 | Pa×s | 534.82 | Calculated Property |
| η | 0.0004898 | Pa×s | 568.49 | Calculated Property |
| η | 0.0003587 | Pa×s | 602.15 | Calculated Property |
| η | 0.0002715 | Pa×s | 635.82 | Calculated Property |
| η | 0.0002114 | Pa×s | 669.49 | Calculated Property |
| η | 0.0001685 | Pa×s | 703.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [533.27; 741.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50708e+01 | |||
| Coefficient B | -5.98314e+03 | |||
| Coefficient C | -1.28547e+02 | |||
| Temperature range, min. | 533.27 | |||
| Temperature range, max. | 741.61 | |||
| Pvap | 1.33 | kPa | 533.27 | Calculated Property |
| Pvap | 2.97 | kPa | 556.42 | Calculated Property |
| Pvap | 6.08 | kPa | 579.57 | Calculated Property |
| Pvap | 11.62 | kPa | 602.72 | Calculated Property |
| Pvap | 20.91 | kPa | 625.87 | Calculated Property |
| Pvap | 35.70 | kPa | 649.01 | Calculated Property |
| Pvap | 58.24 | kPa | 672.16 | Calculated Property |
| Pvap | 91.30 | kPa | 695.31 | Calculated Property |
| Pvap | 138.16 | kPa | 718.46 | Calculated Property |
| Pvap | 202.64 | kPa | 741.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetradecanedioic acid.
Sources
- 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
- Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
- Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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