- InChI
- InChI=1S/C17H26O2/c1-13-8-10-17(11-9-13)15(3)7-5-6-14(2)12-19-16(4)18/h6,8,17H,3,5,7,9-12H2,1-2,4H3/b14-6-
- InChI Key
- BSYWXGDMWUUHDZ-NSIKDUERSA-N
- Formula
- C17H26O2
- SMILES
-
C=C(CCC=C(C)COC(C)=O)C1CC=C(C)
CC1 - Molecular Weight1
- 262.39
- 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 | 0.4976 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.579 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| Inp | [1856.00; 1860.00] |
|
|
| Inp | 1860.00 | NIST | |
| Inp | 1856.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Tboil | 589.56 | K | Relay (1.0) Calculated Property |
| Tc | 766.61 | K | Relay (1.0) Calculated Property |
| Tfus | 269.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.93; 757.44] | J/mol×K | [688.94; 894.75] |
|
| Cp,gas | 657.93 | J/mol×K | 688.94 | Joback Calculated Property |
| Cp,gas | 677.21 | J/mol×K | 723.24 | Joback Calculated Property |
| Cp,gas | 695.35 | J/mol×K | 757.54 | Joback Calculated Property |
| Cp,gas | 712.40 | J/mol×K | 791.85 | Joback Calculated Property |
| Cp,gas | 728.40 | J/mol×K | 826.15 | Joback Calculated Property |
| Cp,gas | 743.40 | J/mol×K | 860.45 | Joback Calculated Property |
| Cp,gas | 757.44 | J/mol×K | 894.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lanceol acetate.
Sources
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