- InChI
- InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m1/s1
- InChI Key
- YNVGQYHLRCDXFQ-UEDNIHKISA-N
- Formula
- C20H28O
- SMILES
-
C#CC1(O)CCC2C3CCC4=CCCCC4C3CCC
21C - Molecular Weight1
- 284.44
- CAS
- 52-76-6
- Other Names
-
- lynestrenol
- 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 | 0.4766 | Relay (1.0) Calculated Property | |
| ΔfG° | 380.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -60.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 242.190 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| Inp | [2319.00; 2319.00] |
|
|
| Inp | 2319.00 | NIST | |
| Inp | 2319.00 | NIST | |
| Tboil | 630.40 | K | Relay (1.0) Calculated Property |
| Tc | 915.79 | K | Relay (1.0) Calculated Property |
| Tfus | 441.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.838 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.93; 946.03] | J/mol×K | [782.89; 1018.79] |
|
| Cp,gas | 802.93 | J/mol×K | 782.89 | Joback Calculated Property |
| Cp,gas | 826.27 | J/mol×K | 822.21 | Joback Calculated Property |
| Cp,gas | 849.31 | J/mol×K | 861.52 | Joback Calculated Property |
| Cp,gas | 872.44 | J/mol×K | 900.84 | Joback Calculated Property |
| Cp,gas | 896.02 | J/mol×K | 940.16 | Joback Calculated Property |
| Cp,gas | 920.43 | J/mol×K | 979.47 | Joback Calculated Property |
| Cp,gas | 946.03 | J/mol×K | 1018.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linestrenol.
Sources
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