- InChI
- InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
- InChI Key
- JMOLZNNXZPAGBH-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCCC(CCCCCC)C(=O)O
- Molecular Weight1
- 256.43
- CAS
- 25354-97-6
- Other Names
-
- 2-Hexyldecansaeure
- 2-hexyldecanoic acid
- 2-n-Hexyldecanoic acid
- 7-Pentadecanecarboxylic 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).
- 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 | 0.9596 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.408 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1416.50 | kPa | Joback Calculated Property |
| Tboil | 576.64 | K | Relay (1.0) Calculated Property |
| Tc | 784.04 | K | Relay (1.0) Calculated Property |
| Tfus | 283.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.918 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.21; 856.10] | 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 | -8.73800e+00 | |||
| Coefficient B | 1.58054e+00 | |||
| Coefficient C | -9.22400e-04 | |||
| Coefficient D | 2.06700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 358.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 589.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 649.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 702.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 749.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 789.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 825.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 856.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0271652; 0.0001740] | Pa×s | [283.15; 622.39] |
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 | -1.28721e+01 | |||
| Coefficient B | 2.62376e+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. | 283.15 | |||
| Temperature range, max. | 622.39 | |||
| η | 0.0271652 | Pa×s | 283.15 | Calculated Property |
| η | 0.0091460 | Pa×s | 320.84 | Calculated Property |
| η | 0.0038713 | Pa×s | 358.54 | Calculated Property |
| η | 0.0019298 | Pa×s | 396.23 | Calculated Property |
| η | 0.0010857 | Pa×s | 433.92 | Calculated Property |
| η | 0.0006696 | Pa×s | 471.61 | Calculated Property |
| η | 0.0004436 | Pa×s | 509.31 | Calculated Property |
| η | 0.0003111 | Pa×s | 547.00 | Calculated Property |
| η | 0.0002283 | Pa×s | 584.69 | Calculated Property |
| η | 0.0001740 | Pa×s | 622.39 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [479.72; 652.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59625e+01 | |||
| Coefficient B | -5.73094e+03 | |||
| Coefficient C | -1.14108e+02 | |||
| Temperature range, min. | 479.72 | |||
| Temperature range, max. | 652.17 | |||
| Pvap | 1.33 | kPa | 479.72 | Calculated Property |
| Pvap | 2.91 | kPa | 498.88 | Calculated Property |
| Pvap | 5.90 | kPa | 518.04 | Calculated Property |
| Pvap | 11.21 | kPa | 537.20 | Calculated Property |
| Pvap | 20.17 | kPa | 556.36 | Calculated Property |
| Pvap | 34.54 | kPa | 575.53 | Calculated Property |
| Pvap | 56.68 | kPa | 594.69 | Calculated Property |
| Pvap | 89.54 | kPa | 613.85 | Calculated Property |
| Pvap | 136.74 | kPa | 633.01 | Calculated Property |
| Pvap | 202.64 | kPa | 652.17 | Calculated Property |
Similar Compounds
Find more compounds similar to DECANOIC ACID, 2-HEXYL-.
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
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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