- InChI
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5-
- InChI Key
- BDLLSHRIFPDGQB-WAYWQWQTSA-N
- Formula
- C18H34O2
- SMILES
- CCCCC=CCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 282.46
- CAS
- 13126-39-1
- 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 | 1.0285 | Relay (1.0) Calculated Property | |
| ΔfG° | -163.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.109 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | [2178.60; 2178.60] |
|
|
| Inp | 2178.60 | NIST | |
| Inp | 2178.60 | NIST | |
| Tboil | 605.39 | K | Relay (1.0) Calculated Property |
| Tc | 806.41 | K | Relay (1.0) Calculated Property |
| Tfus | 313.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.011 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.93; 904.67] | J/mol×K | [761.11; 943.11] |
|
| Cp,gas | 813.93 | J/mol×K | 761.11 | Joback Calculated Property |
| Cp,gas | 830.97 | J/mol×K | 791.44 | Joback Calculated Property |
| Cp,gas | 847.19 | J/mol×K | 821.78 | Joback Calculated Property |
| Cp,gas | 862.62 | J/mol×K | 852.11 | Joback Calculated Property |
| Cp,gas | 877.31 | J/mol×K | 882.44 | Joback Calculated Property |
| Cp,gas | 891.31 | J/mol×K | 912.77 | Joback Calculated Property |
| Cp,gas | 904.67 | J/mol×K | 943.11 | Joback Calculated Property |
| η | [0.0000740; 0.0009230] | Pa×s | [448.14; 761.11] |
|
| η | 0.0009230 | Pa×s | 448.14 | Joback Calculated Property |
| η | 0.0004868 | Pa×s | 500.30 | Joback Calculated Property |
| η | 0.0002897 | Pa×s | 552.46 | Joback Calculated Property |
| η | 0.0001885 | Pa×s | 604.62 | Joback Calculated Property |
| η | 0.0001314 | Pa×s | 656.79 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 708.95 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 761.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-13-Octadecenoic acid.
Sources
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