- InChI
- InChI=1S/C16H30O2/c1-13(2)7-6-8-15(5)11-12-18-16(17)10-9-14(3)4/h7,14-15H,6,8-12H2,1-5H3
- InChI Key
- GABKAFYIQCMTDH-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CC(C)=CCCC(C)CCOC(=O)CCC(C)C
- Molecular Weight1
- 254.41
- CAS
- 71662-18-5
- Other Names
-
- Citronellyl isohexanoate
- 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 | 0.6695 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.738 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1686.60] |
|
|
| Inp | 1686.60 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1686.60 | NIST | |
| Inp | 1663.00 | NIST | |
| Tboil | 550.34 | K | Relay (1.0) Calculated Property |
| Tc | 717.68 | K | Relay (1.0) Calculated Property |
| Tfus | 215.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.868 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.62; 752.88] | J/mol×K | [644.93; 824.65] |
|
| Cp,gas | 655.62 | J/mol×K | 644.93 | Joback Calculated Property |
| Cp,gas | 673.89 | J/mol×K | 674.88 | Joback Calculated Property |
| Cp,gas | 691.30 | J/mol×K | 704.84 | Joback Calculated Property |
| Cp,gas | 707.87 | J/mol×K | 734.79 | Joback Calculated Property |
| Cp,gas | 723.65 | J/mol×K | 764.75 | Joback Calculated Property |
| Cp,gas | 738.64 | J/mol×K | 794.70 | Joback Calculated Property |
| Cp,gas | 752.88 | J/mol×K | 824.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-dimethyloct-6-enyl 4-methylvalerate.
Sources
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