- InChI
- InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+
- InChI Key
- OYHQOLUKZRVURQ-AVQMFFATSA-N
- Formula
- C18H32O2
- SMILES
- CCCCCC=CCC=CCCCCCCCC(=O)O
- Molecular Weight1
- 280.45
- CAS
- 506-21-8
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.9428 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -640.20 | kJ/mol | NIST |
| ΔfusH° | 48.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.885 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1385.05 | kPa | Joback Calculated Property |
| Tboil | 606.33 | K | Relay (1.0) Calculated Property |
| Tc | 799.86 | K | Relay (1.0) Calculated Property |
| Tfus | 313.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.02; 872.21] | J/mol×K | [765.61; 944.34] | 
|
| Cp,gas | 787.02 | J/mol×K | 765.61 | Joback Calculated Property |
| Cp,gas | 802.93 | J/mol×K | 795.40 | Joback Calculated Property |
| Cp,gas | 818.10 | J/mol×K | 825.19 | Joback Calculated Property |
| Cp,gas | 832.56 | J/mol×K | 854.97 | Joback Calculated Property |
| Cp,gas | 846.37 | J/mol×K | 884.76 | Joback Calculated Property |
| Cp,gas | 859.57 | J/mol×K | 914.55 | Joback Calculated Property |
| Cp,gas | 872.21 | J/mol×K | 944.34 | Joback Calculated Property |
| η | [0.0000180; 0.0023129] | Pa×s | [393.21; 765.61] |
|
| η | 0.0023129 | Pa×s | 393.21 | Joback Calculated Property |
| η | 0.0005934 | Pa×s | 455.28 | Joback Calculated Property |
| η | 0.0002110 | Pa×s | 517.34 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 579.41 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 641.48 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 703.54 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 765.61 | Joback Calculated Property |
| ΔfusH | 47.70 | kJ/mol | 303.00 | NIST |
Similar Compounds
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Sources
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