- InChI
- InChI=1S/C16H28O2/c1-6-7-8-9-16(17)18-12-15(14(4)5)11-10-13(2)3/h10,15H,4,6-9,11-12H2,1-3,5H3
- InChI Key
- XIHQQRPPPPVGNN-UHFFFAOYSA-N
- Formula
- C16H28O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)CCCCC
- Molecular Weight1
- 252.39
- CAS
- 59550-36-6
- 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 | 0.6363 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.659 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Pc | 1483.85 | kPa | Joback Calculated Property |
| Inp | [1649.50; 1649.50] |
|
|
| Inp | 1649.50 | NIST | |
| Inp | 1649.50 | NIST | |
| Tboil | 561.40 | K | Relay (1.0) Calculated Property |
| Tc | 722.19 | K | Relay (1.0) Calculated Property |
| Tfus | 222.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.832 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.18; 726.14] | J/mol×K | [641.93; 823.82] |
|
| Cp,gas | 632.18 | J/mol×K | 641.93 | Joback Calculated Property |
| Cp,gas | 649.86 | J/mol×K | 672.25 | Joback Calculated Property |
| Cp,gas | 666.69 | J/mol×K | 702.56 | Joback Calculated Property |
| Cp,gas | 682.71 | J/mol×K | 732.88 | Joback Calculated Property |
| Cp,gas | 697.93 | J/mol×K | 763.19 | Joback Calculated Property |
| Cp,gas | 712.40 | J/mol×K | 793.51 | Joback Calculated Property |
| Cp,gas | 726.14 | J/mol×K | 823.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl caproate.
Sources
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