- InChI
- InChI=1S/C34H64O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16-18H,3-13,15,19-33H2,1-2H3/b16-14-,18-17-
- InChI Key
- AJQOBPHRBMLQRX-LJSPAGPLSA-N
- Formula
- C34H64O2
- SMILES
-
CCCCCCC=CCCCCCCCC(=O)OCCCCCCCC
C=CCCCCCCCC - Molecular Weight1
- 504.87
- CAS
- 22393-98-2
- Other Names
-
- Hexadec-9-enoic acid octadec-9-enyl ester, Z,Z
- 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 | 1.3121 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 152.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.824 | Crippen Calculated Property | |
| McVol | 488.760 | ml/mol | McGowan Calculated Property |
| Pc | 532.87 | kPa | Joback Calculated Property |
| Inp | [3503.04; 3503.04] |
|
|
| Inp | 3503.04 | NIST | |
| Inp | 3503.04 | NIST | |
| Tboil | 692.07 | K | Relay (1.0) Calculated Property |
| Tc | 873.35 | K | Relay (1.0) Calculated Property |
| Tfus | 294.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.837 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1762.72; 1917.46] | J/mol×K | [1061.93; 1343.48] |
|
| Cp,gas | 1762.72 | J/mol×K | 1061.93 | Joback Calculated Property |
| Cp,gas | 1792.61 | J/mol×K | 1108.85 | Joback Calculated Property |
| Cp,gas | 1820.51 | J/mol×K | 1155.78 | Joback Calculated Property |
| Cp,gas | 1846.68 | J/mol×K | 1202.70 | Joback Calculated Property |
| Cp,gas | 1871.38 | J/mol×K | 1249.63 | Joback Calculated Property |
| Cp,gas | 1894.89 | J/mol×K | 1296.55 | Joback Calculated Property |
| Cp,gas | 1917.46 | J/mol×K | 1343.48 | Joback Calculated Property |
| η | [0.0000069; 0.0002416] | Pa×s | [534.94; 1061.93] |
|
| η | 0.0002416 | Pa×s | 534.94 | Joback Calculated Property |
| η | 0.0000880 | Pa×s | 622.77 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 710.60 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 798.43 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 886.27 | Joback Calculated Property |
| η | 0.0000096 | Pa×s | 974.10 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 1061.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Hexadecenoic acid, 9-octadecenyl ester, (Z,Z)-.
Sources
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