- InChI
- InChI=1S/C23H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3/b8-7+,11-10+,14-13+,17-16+
- InChI Key
- ABGHYAFHPINIHF-SHDWVJIKSA-N
- Formula
- C23H38O2
- SMILES
-
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CC
CCCC(=O)OC - Molecular Weight1
- 346.55
- 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 | 0.7170 | Relay (1.0) Calculated Property | |
| ΔfG° | 153.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.085 | Crippen Calculated Property | |
| McVol | 325.170 | ml/mol | McGowan Calculated Property |
| Pc | 968.68 | kPa | Joback Calculated Property |
| Inp | [2427.00; 2427.00] |
|
|
| Inp | 2427.00 | NIST | |
| Inp | 2427.00 | NIST | |
| Tboil | 608.59 | K | Relay (1.0) Calculated Property |
| Tc | 797.65 | K | Relay (1.0) Calculated Property |
| Tfus | 279.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.105 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.72; 1091.70] | 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 | -4.93380e+01 | |||
| Coefficient B | 2.21404e+00 | |||
| Coefficient C | -1.46800e-03 | |||
| Coefficient D | 3.95000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 453.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 567.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 667.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 755.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 832.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 899.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 957.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1007.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1052.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1091.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013427; 0.0000422] | Pa×s | [370.98; 691.11] |
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 | -1.40820e+01 | |||
| Coefficient B | 2.77080e+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. | 370.98 | |||
| Temperature range, max. | 691.11 | |||
| η | 0.0013427 | Pa×s | 370.98 | Calculated Property |
| η | 0.0006985 | Pa×s | 406.55 | Calculated Property |
| η | 0.0004037 | Pa×s | 442.12 | Calculated Property |
| η | 0.0002531 | Pa×s | 477.69 | Calculated Property |
| η | 0.0001694 | Pa×s | 513.26 | Calculated Property |
| η | 0.0001194 | Pa×s | 548.83 | Calculated Property |
| η | 0.0000878 | Pa×s | 584.40 | Calculated Property |
| η | 0.0000669 | Pa×s | 619.97 | Calculated Property |
| η | 0.0000525 | Pa×s | 655.54 | Calculated Property |
| η | 0.0000422 | Pa×s | 691.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 7,10,13,16-Docosatetraenoic acid, methyl ester.
Sources
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