- InChI
- InChI=1S/C18H30O4/c1-11(2)15(19)21-10-18(6)13-7-8-17(18,5)14(9-13)22-16(20)12(3)4/h11-14H,7-10H2,1-6H3/t13-,14+,17+,18?/m1/s1
- InChI Key
- TYRVJKXVESQUNB-FSNFEAPFSA-N
- Formula
- C18H30O4
- SMILES
-
CC(C)C(=O)OCC1(C)C2CCC1(C)C(OC
(=O)C(C)C)C2 - Molecular Weight1
- 310.43
- 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 | 0.6399 | Relay (... Calculated Property | |
| ΔfG° | -289.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.75 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -3.71 | Relay (... Calculated Property | |
| logPoct/wat | 3.580 | Crippen Calculated Property | |
| McVol | 257.640 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Inp | [1866.00; 1869.00] |
|
|
| Inp | 1869.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Tboil | 561.03 | K | Relay (... Calculated Property |
| Tc | 811.33 | K | Relay (... Calculated Property |
| Tfus | 377.37 | K | Relay (... Calculated Property |
| Vc | 0.941 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [819.71; 941.91] | J/mol×K | [771.83; 981.22] |
|
| Cp,gas | 819.71 | J/mol×K | 771.83 | Joback Calculated Property |
| Cp,gas | 840.36 | J/mol×K | 806.73 | Joback Calculated Property |
| Cp,gas | 860.64 | J/mol×K | 841.63 | Joback Calculated Property |
| Cp,gas | 880.73 | J/mol×K | 876.53 | Joback Calculated Property |
| Cp,gas | 900.84 | J/mol×K | 911.43 | Joback Calculated Property |
| Cp,gas | 921.17 | J/mol×K | 946.32 | Joback Calculated Property |
| Cp,gas | 941.91 | J/mol×K | 981.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Isobutyryloxy isobornyl isobutyrate.
Sources
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