- InChI
- InChI=1S/C15H24O2/c1-9(2)8-12(16)17-14-11-7-6-10(3)13(14)15(11,4)5/h6,9,11,13-14H,7-8H2,1-5H3/t11?,13?,14-/m0/s1
- InChI Key
- VCFDIPBWQNPUTA-UBHUBRDASA-N
- Formula
- C15H24O2
- SMILES
-
CC1=CCC2C(OC(=O)CC(C)C)C1C2(C)
C - Molecular Weight1
- 236.35
- 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).
- 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° | -52.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.567 | Crippen Calculated Property | |
| McVol | 203.630 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| I | 1802.00 | NIST | |
| Tboil | 631.24 | K | Joback Calculated Property |
| Tc | 836.07 | K | Joback Calculated Property |
| Tfus | 377.03 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.62; 677.64] | J/mol×K | [631.24; 836.07] | 
|
| Cp,gas | 574.62 | J/mol×K | 631.24 | Joback Calculated Property |
| Cp,gas | 593.83 | J/mol×K | 665.38 | Joback Calculated Property |
| Cp,gas | 612.08 | J/mol×K | 699.52 | Joback Calculated Property |
| Cp,gas | 629.46 | J/mol×K | 733.66 | Joback Calculated Property |
| Cp,gas | 646.10 | J/mol×K | 767.80 | Joback Calculated Property |
| Cp,gas | 662.12 | J/mol×K | 801.94 | Joback Calculated Property |
| Cp,gas | 677.64 | J/mol×K | 836.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to chrysanthenyl isovalerate II.
Sources
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