- InChI
- InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17)18-15-4-2/h4H,2-3,5-15H2,1H3
- InChI Key
- XVYSUWDBWVPTGL-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCC
- Molecular Weight1
- 254.41
- 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 | 0.7913 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.027 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1364.66 | kPa | Joback Calculated Property |
| Inp | 1755.00 | NIST | |
| Tboil | 570.71 | K | Relay (1.0) Calculated Property |
| Tc | 746.11 | K | Relay (1.0) Calculated Property |
| Tfus | 260.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.43; 824.38] | 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 | 1.07620e+01 | |||
| Coefficient B | 1.44902e+00 | |||
| Coefficient C | -7.74900e-04 | |||
| Coefficient D | 1.39500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 351.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 432.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 505.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 570.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 628.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 679.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 724.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 763.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 796.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 824.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036129; 0.0001784] | Pa×s | [310.65; 551.18] |
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 | -1.25170e+01 | |||
| Coefficient B | 2.14156e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 310.65 | |||
| Temperature range, max. | 551.18 | |||
| η | 0.0036129 | Pa×s | 310.65 | Calculated Property |
| η | 0.0020926 | Pa×s | 337.38 | Calculated Property |
| η | 0.0013132 | Pa×s | 364.10 | Calculated Property |
| η | 0.0008784 | Pa×s | 390.83 | Calculated Property |
| η | 0.0006185 | Pa×s | 417.55 | Calculated Property |
| η | 0.0004543 | Pa×s | 444.28 | Calculated Property |
| η | 0.0003456 | Pa×s | 471.00 | Calculated Property |
| η | 0.0002707 | Pa×s | 497.73 | Calculated Property |
| η | 0.0002174 | Pa×s | 524.45 | Calculated Property |
| η | 0.0001784 | Pa×s | 551.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl tridecanoate.
Sources
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