- InChI
- InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
- InChI Key
- URXZXNYJPAJJOQ-FPLPWBNLSA-N
- Formula
- C20H38O2
- SMILES
- CCCCCCC=CCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 310.51
- CAS
- 17735-94-3
- Other Names
-
- (Z)-13-Eicosenic 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).
- 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 | 1.1001 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.889 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1113.34 | kPa | Joback Calculated Property |
| Inp | [2365.50; 2365.50] |
|
|
| Inp | 2365.50 | NIST | |
| Inp | 2365.50 | NIST | |
| Tboil | 619.50 | K | Relay (1.0) Calculated Property |
| Tc | 823.17 | K | Relay (1.0) Calculated Property |
| Tfus | 320.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.122 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.38; 1031.35] | 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 | -2.48740e+01 | |||
| Coefficient B | 1.97462e+00 | |||
| Coefficient C | -1.22060e-03 | |||
| Coefficient D | 3.02200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 429.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 534.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 627.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 709.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 782.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 846.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 901.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 950.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 993.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1031.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007579; 0.0001012] | Pa×s | [470.68; 694.66] |
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 | -1.34287e+01 | |||
| Coefficient B | 2.93882e+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. | 470.68 | |||
| Temperature range, max. | 694.66 | |||
| η | 0.0007579 | Pa×s | 470.68 | Calculated Property |
| η | 0.0005539 | Pa×s | 495.57 | Calculated Property |
| η | 0.0004171 | Pa×s | 520.45 | Calculated Property |
| η | 0.0003224 | Pa×s | 545.34 | Calculated Property |
| η | 0.0002548 | Pa×s | 570.23 | Calculated Property |
| η | 0.0002054 | Pa×s | 595.11 | Calculated Property |
| η | 0.0001685 | Pa×s | 620.00 | Calculated Property |
| η | 0.0001403 | Pa×s | 644.89 | Calculated Property |
| η | 0.0001185 | Pa×s | 669.77 | Calculated Property |
| η | 0.0001012 | Pa×s | 694.66 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-13-Eicosenoic acid.
Sources
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