- InChI
- InChI=1S/C16H24O2/c1-11-6-5-7-14-9-8-13(10-16(11,14)3)12(2)15(17)18-4/h7,11H,5-6,8-10H2,1-4H3/b13-12+/t11-,16+/m0/s1
- InChI Key
- IQNNVJGAZGSJBO-LKLDIJRUSA-N
- Formula
- C16H24O2
- SMILES
-
COC(=O)C(C)=C1CCC2=CCCC(C)C2(C
)C1 - 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.
- I : 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 | 0.4220 | Relay (1.0) Calculated Property | |
| ΔfG° | -25.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.022 | Crippen Calculated Property | |
| McVol | 213.420 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | 1800.00 | NIST | |
| I | 2355.00 | NIST | |
| Tboil | 565.50 | K | Relay (1.0) Calculated Property |
| Tc | 790.21 | K | Relay (1.0) Calculated Property |
| Tfus | 367.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.99; 718.92] | J/mol×K | [683.23; 909.68] | 
|
| Cp,gas | 609.99 | J/mol×K | 683.23 | Joback Calculated Property |
| Cp,gas | 630.26 | J/mol×K | 720.97 | Joback Calculated Property |
| Cp,gas | 649.48 | J/mol×K | 758.71 | Joback Calculated Property |
| Cp,gas | 667.81 | J/mol×K | 796.46 | Joback Calculated Property |
| Cp,gas | 685.39 | J/mol×K | 834.20 | Joback Calculated Property |
| Cp,gas | 702.37 | J/mol×K | 871.94 | Joback Calculated Property |
| Cp,gas | 718.92 | J/mol×K | 909.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl (E)-eremophila-1(10),7(11)-dien-12-oate.
Sources
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