- InChI
- InChI=1S/C15H24O3/c1-13(2)6-5-7-14(3)9(8-16)15(4)12(18-15)10(17)11(13)14/h9,11-12,16H,5-8H2,1-4H3/t9-,11+,12+,14-,15-/m1/s1
- InChI Key
- AHPUPUJYVYUVKA-BRIGZHOFSA-N
- Formula
- C15H24O3
- SMILES
-
CC1(C)CCCC2(C)C1C(=O)C1OC1(C)C
2CO - Molecular Weight1
- 252.35
- 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 | 0.5921 | Relay (1.0) Calculated Property | |
| ΔfG° | -151.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.168 | Crippen Calculated Property | |
| McVol | 202.940 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | [2081.00; 2081.00] |
|
|
| Inp | 2081.00 | NIST | |
| Inp | 2081.00 | NIST | |
| Tboil | 579.48 | K | Relay (1.0) Calculated Property |
| Tc | 858.48 | K | Relay (1.0) Calculated Property |
| Tfus | 441.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.44; 793.00] | J/mol×K | [745.02; 967.21] |
|
| Cp,gas | 666.44 | J/mol×K | 745.02 | Joback Calculated Property |
| Cp,gas | 686.25 | J/mol×K | 782.05 | Joback Calculated Property |
| Cp,gas | 706.13 | J/mol×K | 819.08 | Joback Calculated Property |
| Cp,gas | 726.40 | J/mol×K | 856.11 | Joback Calculated Property |
| Cp,gas | 747.42 | J/mol×K | 893.14 | Joback Calculated Property |
| Cp,gas | 769.50 | J/mol×K | 930.18 | Joback Calculated Property |
| Cp,gas | 793.00 | J/mol×K | 967.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Uvidin A.
Sources
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