- InChI
- InChI=1S/C19H32O2/c1-15(2)19-12-11-16(3)9-7-5-6-8-10-17(20)18(4,21-19)13-14-19/h5-6,11,15,17,20H,7-10,12-14H2,1-4H3/b6-5+,16-11-/t17-,18-,19+/m0/s1
- InChI Key
- KFRXGVJCCPYNOO-NVMCYVCTSA-N
- Formula
- C19H32O2
- SMILES
-
CC1=CCC2(C(C)C)CCC(C)(O2)C(O)C
CC=CCC1 - Molecular Weight1
- 292.46
- 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 | 0.5030 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.778 | Crippen Calculated Property | |
| McVol | 259.990 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | [2164.00; 2193.00] |
|
|
| Inp | 2164.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Inp | 2164.00 | NIST | |
| Tboil | 636.18 | K | Relay (1.0) Calculated Property |
| Tc | 843.24 | K | Relay (1.0) Calculated Property |
| Tfus | 356.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.74; 989.20] | J/mol×K | [803.83; 1032.84] |
|
| Cp,gas | 851.74 | J/mol×K | 803.83 | Joback Calculated Property |
| Cp,gas | 875.41 | J/mol×K | 842.00 | Joback Calculated Property |
| Cp,gas | 898.47 | J/mol×K | 880.17 | Joback Calculated Property |
| Cp,gas | 921.14 | J/mol×K | 918.33 | Joback Calculated Property |
| Cp,gas | 943.67 | J/mol×K | 956.50 | Joback Calculated Property |
| Cp,gas | 966.27 | J/mol×K | 994.67 | Joback Calculated Property |
| Cp,gas | 989.20 | J/mol×K | 1032.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Incensole.
Sources
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