- InChI
- InChI=1S/C13H22O3/c1-8(14)10-5-11-12(2,3)6-9(15)7-13(11,4)16-10/h5,8-10,14-15H,6-7H2,1-4H3/t8?,9?,10?,13-/m0/s1
- InChI Key
- JZZFHGHGUGITAS-HWMWNZGHSA-N
- Formula
- C13H22O3
- SMILES
-
CC(O)C1C=C2C(C)(C)CC(O)CC2(C)O
1 - Molecular Weight1
- 226.31
- 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 | 0.6191 | Relay (... Calculated Property | |
| ΔfG° | -224.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -1.50 | Relay (... Calculated Property | |
| logPoct/wat | 1.632 | Crippen Calculated Property | |
| McVol | 185.620 | ml/mol | McGowan Calculated Property |
| Pc | 2761.36 | kPa | Joback Calculated Property |
| I | [2713.00; 2713.00] |
|
|
| I | 2713.00 | NIST | |
| I | 2713.00 | NIST | |
| Tboil | 553.82 | K | Relay (... Calculated Property |
| Tc | 778.87 | K | Relay (... Calculated Property |
| Tfus | 369.13 | K | Relay (... Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.29; 670.16] | J/mol×K | [729.28; 928.20] |
|
| Cp,gas | 580.29 | J/mol×K | 729.28 | Joback Calculated Property |
| Cp,gas | 595.37 | J/mol×K | 762.43 | Joback Calculated Property |
| Cp,gas | 610.18 | J/mol×K | 795.59 | Joback Calculated Property |
| Cp,gas | 624.89 | J/mol×K | 828.74 | Joback Calculated Property |
| Cp,gas | 639.68 | J/mol×K | 861.90 | Joback Calculated Property |
| Cp,gas | 654.71 | J/mol×K | 895.05 | Joback Calculated Property |
| Cp,gas | 670.16 | J/mol×K | 928.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-dihydro-3-hydroxyactinidol I.
Sources
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