- InChI
- InChI=1S/C10H18O3/c1-9-4-3-7(5-8(9)12)10(2,6-11)13-9/h7-8,11-12H,3-6H2,1-2H3/t7?,8-,9-,10-/m0/s1
- InChI Key
- YBBFHZOLGNSKEP-CFEUDACVSA-N
- Formula
- C10H18O3
- SMILES
- CC12CCC(CC1O)C(C)(CO)O2
- Molecular Weight1
- 186.25
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6407 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.687 | Crippen Calculated Property | |
| McVol | 147.650 | ml/mol | McGowan Calculated Property |
| Pc | 3589.94 | kPa | Joback Calculated Property |
| I | [2801.00; 2801.00] |
|
|
| I | 2801.00 | NIST | |
| I | 2801.00 | NIST | |
| Tboil | 545.37 | K | Relay (1.0) Calculated Property |
| Tc | 809.36 | K | Relay (1.0) Calculated Property |
| Tfus | 399.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.14; 518.15] | J/mol×K | [652.67; 846.80] |
|
| Cp,gas | 444.14 | J/mol×K | 652.67 | Joback Calculated Property |
| Cp,gas | 457.14 | J/mol×K | 685.02 | Joback Calculated Property |
| Cp,gas | 469.66 | J/mol×K | 717.38 | Joback Calculated Property |
| Cp,gas | 481.86 | J/mol×K | 749.73 | Joback Calculated Property |
| Cp,gas | 493.90 | J/mol×K | 782.09 | Joback Calculated Property |
| Cp,gas | 505.94 | J/mol×K | 814.44 | Joback Calculated Property |
| Cp,gas | 518.15 | J/mol×K | 846.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2«alpha»,9-dihydroxy-1,8-cineole.
Sources
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