- InChI
- InChI=1S/C16H22O2/c1-11-5-6-15-13(3)10-18-16(15)9-12(2)8-14(7-11)17-4/h5,8,10,14H,6-7,9H2,1-4H3/b11-5+,12-8-
- InChI Key
- NWLNPDFDTSFGEU-SSQAHJBYSA-N
- Formula
- C16H22O2
- SMILES
- COC1C=C(C)Cc2occ(C)c2CC=C(C)C1
- Molecular Weight1
- 246.34
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4242 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -161.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.984 | Crippen Calculated Property | |
| McVol | 209.120 | ml/mol | McGowan Calculated Property |
| Pc | 1961.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1678.00; 1678.00] |
|
|
| Inp | 1678.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Tboil | 602.35 | K | Relay (1.0) Calculated Property |
| Tc | 791.75 | K | Relay (1.0) Calculated Property |
| Tfus | 305.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-O-methyl-8,12-epoxygermacra-1(10),4,7,11-tetraene, isomer I.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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