- InChI
- InChI=1S/C19H28O4/c1-11-14-10-18(5,19(6)9-7-8-17(14,19)4)16(23-13(3)21)15(11)22-12(2)20/h14-16H,1,7-10H2,2-6H3/t14?,15-,16-,17-,18-,19-/m1/s1
- InChI Key
- JKQYQVNQRKCWEJ-FSQANUGRSA-N
- Formula
- C19H28O4
- SMILES
-
C=C1C(OC(C)=O)C(OC(C)=O)C2(C)C
C1C1(C)CCCC12C - Molecular Weight1
- 320.42
- Other Names
-
- (-)-4«beta»,5«beta»-Diacetoxygymnomitr-3(15)-ene
- 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 | 0.5360 | Relay (1.0) Calculated Property | |
| ΔfG° | -187.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.642 | Crippen Calculated Property | |
| McVol | 256.570 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | [1943.00; 1943.00] |
|
|
| Inp | 1943.00 | NIST | |
| Inp | 1943.00 | NIST | |
| Inp | 1943.00 | NIST | |
| Tboil | 587.44 | K | Relay (1.0) Calculated Property |
| Tc | 847.75 | K | Relay (1.0) Calculated Property |
| Tfus | 393.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.61; 986.54] | J/mol×K | [801.33; 1025.23] |
|
| Cp,gas | 837.61 | J/mol×K | 801.33 | Joback Calculated Property |
| Cp,gas | 860.42 | J/mol×K | 838.65 | Joback Calculated Property |
| Cp,gas | 883.57 | J/mol×K | 875.96 | Joback Calculated Property |
| Cp,gas | 907.42 | J/mol×K | 913.28 | Joback Calculated Property |
| Cp,gas | 932.30 | J/mol×K | 950.59 | Joback Calculated Property |
| Cp,gas | 958.56 | J/mol×K | 987.91 | Joback Calculated Property |
| Cp,gas | 986.54 | J/mol×K | 1025.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4b,5«beta»-Diacetoxygymnomitr-3(15)-ene.
Sources
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