- InChI
- InChI=1S/C15H22O2/c1-9(2)6-14(16)17-13-8-15(10(3)4)7-12(15)11(13)5/h6,10,12-13H,5,7-8H2,1-4H3
- InChI Key
- INAONURJJZWGCJ-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
-
C=C1C(OC(=O)C=C(C)C)CC2(C(C)C)
CC12 - Molecular Weight1
- 234.33
- 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 | 0.4806 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.487 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | [1614.30; 1614.30] |
|
|
| Inp | 1614.30 | NIST | |
| Inp | 1614.30 | NIST | |
| Tboil | 521.43 | K | Relay (1.0) Calculated Property |
| Tc | 770.56 | K | Relay (1.0) Calculated Property |
| Tfus | 284.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.97; 645.03] | J/mol×K | [630.70; 839.57] |
|
| Cp,gas | 548.97 | J/mol×K | 630.70 | Joback Calculated Property |
| Cp,gas | 566.88 | J/mol×K | 665.51 | Joback Calculated Property |
| Cp,gas | 583.83 | J/mol×K | 700.32 | Joback Calculated Property |
| Cp,gas | 599.97 | J/mol×K | 735.13 | Joback Calculated Property |
| Cp,gas | 615.45 | J/mol×K | 769.95 | Joback Calculated Property |
| Cp,gas | 630.42 | J/mol×K | 804.76 | Joback Calculated Property |
| Cp,gas | 645.03 | J/mol×K | 839.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sabinol, 3-methylbut-2-enoate.
Sources
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