- InChI
- InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,10-17H2,1H3,(H,19,20)
- InChI Key
- WNNYSRHBDYRXCH-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
- CCCCCC#CC#CCCCCCCCCC(=O)O
- Molecular Weight1
- 276.41
- CAS
- 7333-25-7
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8833 | Relay (1.0) Calculated Property | |
| ΔfG° | 162.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.779 | Crippen Calculated Property | |
| McVol | 254.720 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | [2202.00; 2202.00] |
|
|
| Inp | 2202.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Tboil | 597.54 | K | Relay (1.0) Calculated Property |
| Tc | 807.70 | K | Relay (1.0) Calculated Property |
| Tfus | 340.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.81; 828.54] | J/mol×K | [774.95; 977.32] |
|
| Cp,gas | 742.81 | J/mol×K | 774.95 | Joback Calculated Property |
| Cp,gas | 759.14 | J/mol×K | 808.68 | Joback Calculated Property |
| Cp,gas | 774.60 | J/mol×K | 842.41 | Joback Calculated Property |
| Cp,gas | 789.23 | J/mol×K | 876.13 | Joback Calculated Property |
| Cp,gas | 803.07 | J/mol×K | 909.86 | Joback Calculated Property |
| Cp,gas | 816.16 | J/mol×K | 943.59 | Joback Calculated Property |
| Cp,gas | 828.54 | J/mol×K | 977.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10,12-Octadecadiynoic acid.
Sources
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