- 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
- 256.42
- CAS
- 25354-97-6
- Other Names
-
- 2-Hexyldecansaeure
- 2-n-Hexyldecanoic acid
- 7-Pentadecanecarboxylic acid
- Decanoic acid, 2-hexyl-
- 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° | -184.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.78 | 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 | 1489.58 | kPa | Joback Calculated Property |
| Tboil | 576.65 | K | Relay (1.0) Calculated Property |
| Tc | 777.56 | K | Relay (1.0) Calculated Property |
| Tfus | 289.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.909 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.27; 806.41] | J/mol×K | [711.09; 881.15] | 
|
| Cp,gas | 720.27 | J/mol×K | 711.09 | Joback Calculated Property |
| Cp,gas | 736.41 | J/mol×K | 739.43 | Joback Calculated Property |
| Cp,gas | 751.80 | J/mol×K | 767.78 | Joback Calculated Property |
| Cp,gas | 766.47 | J/mol×K | 796.12 | Joback Calculated Property |
| Cp,gas | 780.45 | J/mol×K | 824.46 | Joback Calculated Property |
| Cp,gas | 793.76 | J/mol×K | 852.80 | Joback Calculated Property |
| Cp,gas | 806.41 | J/mol×K | 881.15 | Joback Calculated Property |
| η | [0.0000327; 0.0052083] | Pa×s | [365.83; 711.09] |
|
| η | 0.0052083 | Pa×s | 365.83 | Joback Calculated Property |
| η | 0.0012596 | Pa×s | 423.37 | Joback Calculated Property |
| η | 0.0004279 | Pa×s | 480.92 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 538.46 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 596.00 | Joback Calculated Property |
| η | 0.0000525 | Pa×s | 653.55 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 711.09 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [479.72; 652.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 2-Hexyldecanoic 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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