- InChI
- InChI=1S/C18H32O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-2H,3-17H2/b2-1-
- InChI Key
- GODWWTDBDJRXIU-UPHRSURJSA-N
- Formula
- C18H32O2
- SMILES
- O=C1CCCCCCCC=CCCCCCCCCO1
- Molecular Weight1
- 280.45
- CAS
- 80060-76-0
- 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 | 0.3350 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.561 | Crippen Calculated Property | |
| McVol | 256.760 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | [2158.90; 2208.00] |
|
|
| Inp | 2158.90 | NIST | |
| Inp | 2208.00 | NIST | |
| Inp | 2208.00 | NIST | |
| Inp | 2158.90 | NIST | |
| Tboil | 710.44 | K | Relay (1.0) Calculated Property |
| Tc | 882.26 | K | Relay (1.0) Calculated Property |
| Tfus | 337.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.801 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.75; 950.04] | J/mol×K | [784.90; 1061.28] |
|
| Cp,gas | 832.75 | J/mol×K | 784.90 | Joback Calculated Property |
| Cp,gas | 862.15 | J/mol×K | 830.96 | Joback Calculated Property |
| Cp,gas | 887.81 | J/mol×K | 877.03 | Joback Calculated Property |
| Cp,gas | 909.59 | J/mol×K | 923.09 | Joback Calculated Property |
| Cp,gas | 927.32 | J/mol×K | 969.15 | Joback Calculated Property |
| Cp,gas | 940.86 | J/mol×K | 1015.22 | Joback Calculated Property |
| Cp,gas | 950.04 | J/mol×K | 1061.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-18-Octadec-9-enolide.
Sources
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