- InChI
- InChI=1S/C17H20O3/c1-12(18)17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3/t12-/m0/s1
- InChI Key
- NHUSVJTYMHDUAP-LBPRGKRZSA-N
- Formula
- C17H20O3
- SMILES
-
COc1ccc(C(c2ccc(OC)cc2)C(C)O)c
c1 - Molecular Weight1
- 272.34
- CAS
- 212516-39-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -53.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 3.216 | Crippen Calculated Property | |
| McVol | 220.480 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | [2276.50; 2276.50] |
|
|
| Inp | 2276.50 | NIST | |
| Inp | 2276.50 | NIST | |
| Tboil | 787.82 | K | Joback Calculated Property |
| Tc | 1002.94 | K | Joback Calculated Property |
| Tfus | 434.51 | K | Joback Calculated Property |
| Vc | 0.815 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [639.91; 710.71] | J/mol×K | [787.82; 1002.94] |
|
| Cp,gas | 639.91 | J/mol×K | 787.82 | Joback Calculated Property |
| Cp,gas | 654.32 | J/mol×K | 823.67 | Joback Calculated Property |
| Cp,gas | 667.64 | J/mol×K | 859.53 | Joback Calculated Property |
| Cp,gas | 679.92 | J/mol×K | 895.38 | Joback Calculated Property |
| Cp,gas | 691.18 | J/mol×K | 931.23 | Joback Calculated Property |
| Cp,gas | 701.43 | J/mol×K | 967.08 | Joback Calculated Property |
| Cp,gas | 710.71 | J/mol×K | 1002.94 | Joback Calculated Property |
| η | [0.0000136; 0.0007731] | Pa×s | [434.51; 787.82] |
|
| η | 0.0007731 | Pa×s | 434.51 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 493.39 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 552.28 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 611.16 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 670.05 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 728.93 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 787.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-1,1-bis(4-Methoxyphenyl)propan-2-ol.
Sources
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