- InChI
- InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
- InChI Key
- YYBMOGCOPQVSLQ-SAPNQHFASA-N
- Formula
- C18H32O2
- SMILES
- CCCCCCCC(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 280.45
- CAS
- 51532-26-4
- 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 | 0.7171 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.583 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1288.36 | kPa | Joback Calculated Property |
| Inp | [1923.00; 1954.00] |
|
|
| Inp | 1934.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Inp | 1954.00 | NIST | |
| Inp | 1953.10 | NIST | |
| Inp | 1928.00 | NIST | |
| Inp | 1927.00 | NIST | |
| Inp | 1923.00 | NIST | |
| Inp | 1923.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Tboil | 578.57 | K | Relay (1.0) Calculated Property |
| Tc | 749.69 | K | Relay (1.0) Calculated Property |
| Tfus | 235.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.960 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.18; 842.09] | J/mol×K | [695.61; 876.41] |
|
| Cp,gas | 745.18 | J/mol×K | 695.61 | Joback Calculated Property |
| Cp,gas | 763.38 | J/mol×K | 725.74 | Joback Calculated Property |
| Cp,gas | 780.71 | J/mol×K | 755.88 | Joback Calculated Property |
| Cp,gas | 797.21 | J/mol×K | 786.01 | Joback Calculated Property |
| Cp,gas | 812.91 | J/mol×K | 816.14 | Joback Calculated Property |
| Cp,gas | 827.86 | J/mol×K | 846.28 | Joback Calculated Property |
| Cp,gas | 842.09 | J/mol×K | 876.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Geranyl octanoate.
Sources
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