- InChI
- InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3/t14-/m0/s1
- InChI Key
- PFOJEJPZUVQHEH-AWEZNQCLSA-N
- Formula
- C15H28O2
- SMILES
- CCCCC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 240.38
- CAS
- 7540-53-6
- Other Names
-
- Citronellyl pentanoate
- 3,7-dimethyloct-6-enyl valerate
- 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.
- I : 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° | -89.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 4.492 | Crippen Calculated Property | |
| McVol | 225.350 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | [1599.00; 1627.00] |
|
|
| Inp | 1627.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1625.80 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1599.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1608.00 | NIST | |
| I | [1880.00; 1883.00] |
|
|
| I | 1883.00 | NIST | |
| I | 1880.00 | NIST | |
| I | 1880.00 | NIST | |
| I | 1883.00 | NIST | |
| Tboil | 622.49 | K | Joback Calculated Property |
| Tc | 800.52 | K | Joback Calculated Property |
| Tfus | 296.93 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.69; 694.33] | J/mol×K | [622.49; 800.52] |
|
| Cp,gas | 600.69 | J/mol×K | 622.49 | Joback Calculated Property |
| Cp,gas | 618.22 | J/mol×K | 652.16 | Joback Calculated Property |
| Cp,gas | 634.95 | J/mol×K | 681.83 | Joback Calculated Property |
| Cp,gas | 650.90 | J/mol×K | 711.51 | Joback Calculated Property |
| Cp,gas | 666.10 | J/mol×K | 741.18 | Joback Calculated Property |
| Cp,gas | 680.57 | J/mol×K | 770.85 | Joback Calculated Property |
| Cp,gas | 694.33 | J/mol×K | 800.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl valerate.
Sources
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