- InChI
- InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,4)8-5-9-20(18,12-21)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3
- InChI Key
- YPWYNONCSGZEQQ-UHFFFAOYSA-N
- Formula
- C20H28O2
- SMILES
-
CC(C)c1cc2c(cc1O)C1(C=O)CCCC(C
)(C)C1CC2 - Molecular Weight1
- 300.44
- CAS
- 24035-37-8
- 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 | 0.6661 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.725 | Crippen Calculated Property | |
| McVol | 254.620 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [2502.00; 2568.50] |
|
|
| Inp | 2502.00 | NIST | |
| Inp | 2568.50 | NIST | |
| Inp | 2502.00 | NIST | |
| Inp | 2568.50 | NIST | |
| Inp | 2502.00 | NIST | |
| Tboil | 640.40 | K | Relay (1.0) Calculated Property |
| Tc | 934.85 | K | Relay (1.0) Calculated Property |
| Tfus | 436.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.877 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [829.42; 984.14] | J/mol×K | [840.31; 1083.78] |
|
| Cp,gas | 829.42 | J/mol×K | 840.31 | Joback Calculated Property |
| Cp,gas | 852.37 | J/mol×K | 880.89 | Joback Calculated Property |
| Cp,gas | 875.90 | J/mol×K | 921.47 | Joback Calculated Property |
| Cp,gas | 900.42 | J/mol×K | 962.04 | Joback Calculated Property |
| Cp,gas | 926.36 | J/mol×K | 1002.62 | Joback Calculated Property |
| Cp,gas | 954.12 | J/mol×K | 1043.20 | Joback Calculated Property |
| Cp,gas | 984.14 | J/mol×K | 1083.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-Isopropylpodocarpen-12-ol-20-al.
Sources
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