- InChI
- InChI=1S/C16H26O/c1-11(2)13-6-7-14-9-15(17-5)8-12(3)16(14,4)10-13/h9,12,15H,6-8,10H2,1-5H3/t12-,15-,16+/m1/s1
- InChI Key
- BIPWPPDODKZLJM-WQVCFCJDSA-N
- Formula
- C16H26O
- SMILES
-
COC1C=C2CCC(=C(C)C)CC2(C)C(C)C
1 - Molecular Weight1
- 234.38
- 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 | 0.3442 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.494 | Crippen Calculated Property | |
| McVol | 211.850 | ml/mol | McGowan Calculated Property |
| Pc | 1820.06 | kPa | Joback Calculated Property |
| Inp | 1715.00 | NIST | |
| Tboil | 555.99 | K | Relay (1.0) Calculated Property |
| Tc | 756.56 | K | Relay (1.0) Calculated Property |
| Tfus | 329.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.717 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.28; 704.71] | J/mol×K | [624.69; 844.78] | 
|
| Cp,gas | 585.28 | J/mol×K | 624.69 | Joback Calculated Property |
| Cp,gas | 607.80 | J/mol×K | 661.37 | Joback Calculated Property |
| Cp,gas | 629.09 | J/mol×K | 698.05 | Joback Calculated Property |
| Cp,gas | 649.30 | J/mol×K | 734.74 | Joback Calculated Property |
| Cp,gas | 668.54 | J/mol×K | 771.42 | Joback Calculated Property |
| Cp,gas | 686.97 | J/mol×K | 808.10 | Joback Calculated Property |
| Cp,gas | 704.71 | J/mol×K | 844.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eremophila-1(10),7(11)-dien-2-«alpha»-yl methyl ether.
Sources
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