- InChI
- InChI=1S/C16H24O2/c1-11-14-5-4-13(9-18-10-17)16(14)7-6-12(8-16)15(11,2)3/h10,12-14H,1,4-9H2,2-3H3/t12-,13-,14?,16+/m0/s1
- InChI Key
- RGCGFGUXPRDVNM-KNKJBKQJSA-N
- Formula
- C16H24O2
- SMILES
-
C=C1C2CCC(COC=O)C23CCC(C3)C1(C
)C - Molecular Weight1
- 248.36
- 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 | 0.4359 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.568 | Crippen Calculated Property | |
| McVol | 206.860 | ml/mol | McGowan Calculated Property |
| Pc | 2040.07 | kPa | Joback Calculated Property |
| Inp | 1762.00 | NIST | |
| Tboil | 576.50 | K | Relay (1.0) Calculated Property |
| Tc | 823.01 | K | Relay (1.0) Calculated Property |
| Tfus | 385.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.21; 726.14] | J/mol×K | [655.62; 875.15] | 
|
| Cp,gas | 612.21 | J/mol×K | 655.62 | Joback Calculated Property |
| Cp,gas | 632.69 | J/mol×K | 692.21 | Joback Calculated Property |
| Cp,gas | 652.23 | J/mol×K | 728.80 | Joback Calculated Property |
| Cp,gas | 671.09 | J/mol×K | 765.38 | Joback Calculated Property |
| Cp,gas | 689.52 | J/mol×K | 801.97 | Joback Calculated Property |
| Cp,gas | 707.79 | J/mol×K | 838.56 | Joback Calculated Property |
| Cp,gas | 726.14 | J/mol×K | 875.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ziza-6(13)-en-12-yl formate.
Sources
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