- InChI
- InChI=1S/C15H20O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,12-14H,2,6-7H2,1,3-4H3/t12-,13?,14-/m0/s1
- InChI Key
- MPCQKDYYHFZZAW-HPNRGHHYSA-N
- Formula
- C15H20O
- SMILES
-
C=C1COC=C2C(C)=CCC3C(C12)C3(C)
C - Molecular Weight1
- 216.32
- 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 | 0.3164 | Relay (1.0) Calculated Property | |
| ΔfG° | 215.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -15.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.695 | Crippen Calculated Property | |
| McVol | 182.600 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | 1657.00 | NIST | |
| Tboil | 553.01 | K | Relay (1.0) Calculated Property |
| Tc | 786.70 | K | Relay (1.0) Calculated Property |
| Tfus | 319.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.609 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.21; 603.36] | J/mol×K | [605.59; 832.53] | 
|
| Cp,gas | 499.21 | J/mol×K | 605.59 | Joback Calculated Property |
| Cp,gas | 519.05 | J/mol×K | 643.41 | Joback Calculated Property |
| Cp,gas | 537.65 | J/mol×K | 681.24 | Joback Calculated Property |
| Cp,gas | 555.20 | J/mol×K | 719.06 | Joback Calculated Property |
| Cp,gas | 571.88 | J/mol×K | 756.89 | Joback Calculated Property |
| Cp,gas | 587.87 | J/mol×K | 794.71 | Joback Calculated Property |
| Cp,gas | 603.36 | J/mol×K | 832.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-Plagiochiline X.
Sources
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