- InChI
- InChI=1S/C16H30O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,15H,5-8,10-13H2,1-4H3
- InChI Key
- KNYRCCKTQMBSFP-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 254.41
- CAS
- 10580-25-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -80.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 4.883 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1722.10] |
|
|
| Inp | 1720.00 | NIST | |
| Inp | 1722.10 | NIST | |
| Inp | 1700.00 | NIST | |
| Tboil | 645.37 | K | Joback Calculated Property |
| Tc | 822.41 | K | Joback Calculated Property |
| Tfus | 308.20 | K | Joback Calculated Property |
| Vc | 0.930 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.22; 751.09] | J/mol×K | [645.37; 822.41] |
|
| Cp,gas | 655.22 | J/mol×K | 645.37 | Joback Calculated Property |
| Cp,gas | 673.18 | J/mol×K | 674.88 | Joback Calculated Property |
| Cp,gas | 690.31 | J/mol×K | 704.38 | Joback Calculated Property |
| Cp,gas | 706.65 | J/mol×K | 733.89 | Joback Calculated Property |
| Cp,gas | 722.20 | J/mol×K | 763.40 | Joback Calculated Property |
| Cp,gas | 737.01 | J/mol×K | 792.90 | Joback Calculated Property |
| Cp,gas | 751.09 | J/mol×K | 822.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl hexanoate.
Sources
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