- InChI
- InChI=1S/C15H22O3/c1-9(2)10-7-12-11(14(17)18)5-4-6-15(12,3)13(16)8-10/h10,13,16H,1,4-8H2,2-3H3,(H,17,18)
- InChI Key
- HGHWFNSENQPIOA-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
-
C=C(C)C1CC2=C(C(=O)O)CCCC2(C)C
(O)C1 - Molecular Weight1
- 250.33
- 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 | 0.7044 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.905 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Inp | 1948.00 | NIST | |
| Tboil | 614.55 | K | Relay (1.0) Calculated Property |
| Tc | 865.92 | K | Relay (1.0) Calculated Property |
| Tfus | 428.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.681 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.10; 741.70] | J/mol×K | [812.64; 1018.61] | 
|
| Cp,gas | 655.10 | J/mol×K | 812.64 | Joback Calculated Property |
| Cp,gas | 670.15 | J/mol×K | 846.97 | Joback Calculated Property |
| Cp,gas | 684.79 | J/mol×K | 881.30 | Joback Calculated Property |
| Cp,gas | 699.15 | J/mol×K | 915.63 | Joback Calculated Property |
| Cp,gas | 713.33 | J/mol×K | 949.96 | Joback Calculated Property |
| Cp,gas | 727.48 | J/mol×K | 984.29 | Joback Calculated Property |
| Cp,gas | 741.70 | J/mol×K | 1018.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Hydroxyselina-4,11-dien-14-oic acid.
Sources
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