- InChI
- InChI=1S/C18H34O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,17H,5-10,12-15H2,1-4H3
- InChI Key
- RDBWSCQYUJLRGB-UHFFFAOYSA-N
- Formula
- C18H34O2
- SMILES
- CCCCCCCC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 282.46
- CAS
- 72934-05-5
- 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 | 0.7711 | Relay (... Calculated Property | |
| ΔfG° | -64.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.70 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -5.52 | Relay (... Calculated Property | |
| logPoct/wat | 5.663 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1244.21 | kPa | Joback Calculated Property |
| Inp | [1894.00; 1920.00] |
|
|
| Inp | 1894.00 | NIST | |
| Inp | 1916.20 | NIST | |
| Inp | 1920.00 | NIST | |
| Inp | 1920.00 | NIST | |
| Inp | 1916.20 | NIST | |
| Inp | 1894.00 | NIST | |
| Tboil | 580.60 | K | Relay (... Calculated Property |
| Tc | 747.70 | K | Relay (... Calculated Property |
| Tfus | 233.90 | K | Relay (... Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.10; 867.86] | J/mol×K | [691.13; 867.34] |
|
| Cp,gas | 768.10 | J/mol×K | 691.13 | Joback Calculated Property |
| Cp,gas | 786.83 | J/mol×K | 720.50 | Joback Calculated Property |
| Cp,gas | 804.68 | J/mol×K | 749.87 | Joback Calculated Property |
| Cp,gas | 821.68 | J/mol×K | 779.23 | Joback Calculated Property |
| Cp,gas | 837.85 | J/mol×K | 808.60 | Joback Calculated Property |
| Cp,gas | 853.24 | J/mol×K | 837.97 | Joback Calculated Property |
| Cp,gas | 867.86 | J/mol×K | 867.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl octanoate.
Sources
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