- InChI
- InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-13(15)16-12-11-14/h14H,2-12H2,1H3
- InChI Key
- DSNOKLUHSDWJTF-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCCCCCCCCCC(=O)OCCO
- Molecular Weight1
- 230.34
- 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).
- Inp : Non-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 | 0.9509 | Relay (1.0) Calculated Property | |
| ΔfG° | -388.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | [1712.00; 1712.00] |
|
|
| Inp | 1712.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Tboil | 576.59 | K | Relay (1.0) Calculated Property |
| Tc | 756.49 | K | Relay (1.0) Calculated Property |
| Tfus | 291.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.10; 716.79] | 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 | 2.17710e+01 | |||
| Coefficient B | 1.21802e+00 | |||
| Coefficient C | -6.19200e-04 | |||
| Coefficient D | 9.62000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 310.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 379.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 442.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 498.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 548.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 592.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 631.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 664.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 692.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 716.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0070273; 0.0000933] | Pa×s | [339.42; 568.16] |
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 | -1.56934e+01 | |||
| Coefficient B | 3.64383e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 339.42 | |||
| Temperature range, max. | 568.16 | |||
| η | 0.0070273 | Pa×s | 339.42 | Calculated Property |
| η | 0.0033266 | Pa×s | 364.84 | Calculated Property |
| η | 0.0017359 | Pa×s | 390.25 | Calculated Property |
| η | 0.0009808 | Pa×s | 415.67 | Calculated Property |
| η | 0.0005918 | Pa×s | 441.08 | Calculated Property |
| η | 0.0003773 | Pa×s | 466.50 | Calculated Property |
| η | 0.0002520 | Pa×s | 491.91 | Calculated Property |
| η | 0.0001752 | Pa×s | 517.33 | Calculated Property |
| η | 0.0001259 | Pa×s | 542.74 | Calculated Property |
| η | 0.0000933 | Pa×s | 568.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyethyl undecanoate.
Sources
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