- InChI
- InChI=1S/C14H24O2/c1-6-7-14(15)16-10-13(12(4)5)9-8-11(2)3/h8,13H,4,6-7,9-10H2,1-3,5H3
- InChI Key
- ROJSUZRYGHOLJL-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)CCC
- Molecular Weight1
- 224.34
- CAS
- 59550-35-5
- 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° | -18.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.878 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1730.34 | kPa | Joback Calculated Property |
| Inp | [1459.70; 1459.70] |
|
|
| Inp | 1459.70 | NIST | |
| Inp | 1459.70 | NIST | |
| Tboil | 596.17 | K | Joback Calculated Property |
| Tc | 781.23 | K | Joback Calculated Property |
| Tfus | 269.94 | K | Joback Calculated Property |
| Vc | 0.800 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.99; 615.07] | J/mol×K | [596.17; 781.23] |
|
| Cp,gas | 525.99 | J/mol×K | 596.17 | Joback Calculated Property |
| Cp,gas | 542.76 | J/mol×K | 627.01 | Joback Calculated Property |
| Cp,gas | 558.71 | J/mol×K | 657.86 | Joback Calculated Property |
| Cp,gas | 573.90 | J/mol×K | 688.70 | Joback Calculated Property |
| Cp,gas | 588.33 | J/mol×K | 719.54 | Joback Calculated Property |
| Cp,gas | 602.04 | J/mol×K | 750.38 | Joback Calculated Property |
| Cp,gas | 615.07 | J/mol×K | 781.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl butyrate.
Sources
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