- InChI
- InChI=1S/C16H24O2/c1-10-5-7-13(9-12(3)16(17)18-4)15-11(2)6-8-14(10)15/h9-10,13-14H,5-8H2,1-4H3/b12-9-/t10-,13-,14?/m1/s1
- InChI Key
- OQZLCTPJWLOFKS-JLQUNKRQSA-N
- Formula
- C16H24O2
- SMILES
-
COC(=O)C(C)=CC1CCC(C)C2CCC(C)=
C12 - Molecular Weight1
- 248.36
- 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° | 9.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.878 | Crippen Calculated Property | |
| McVol | 213.420 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | 1785.00 | NIST | |
| Tboil | 676.55 | K | Joback Calculated Property |
| Tc | 891.98 | K | Joback Calculated Property |
| Tfus | 370.08 | K | Joback Calculated Property |
| Vc | 0.811 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.88; 717.29] | J/mol×K | [676.55; 891.98] | 
|
| Cp,gas | 613.88 | J/mol×K | 676.55 | Joback Calculated Property |
| Cp,gas | 633.99 | J/mol×K | 712.45 | Joback Calculated Property |
| Cp,gas | 652.88 | J/mol×K | 748.36 | Joback Calculated Property |
| Cp,gas | 670.60 | J/mol×K | 784.26 | Joback Calculated Property |
| Cp,gas | 687.20 | J/mol×K | 820.17 | Joback Calculated Property |
| Cp,gas | 702.75 | J/mol×K | 856.07 | Joback Calculated Property |
| Cp,gas | 717.29 | J/mol×K | 891.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl valerenate.
Sources
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