- InChI
- InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3
- InChI Key
- FDAJTLLBHNHECW-UHFFFAOYSA-N
- Formula
- C24H42O
- SMILES
-
CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c
1 - Molecular Weight1
- 346.59
- CAS
- 137-99-5
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 1.1028 | Relay (1.0) Calculated Property | |
| ΔfG° | 99.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.978 | Crippen Calculated Property | |
| McVol | 331.130 | ml/mol | McGowan Calculated Property |
| Pc | 1070.06 | kPa | Joback Calculated Property |
| Tboil | 647.41 | K | Relay (1.0) Calculated Property |
| Tc | 861.80 | K | Relay (1.0) Calculated Property |
| Tfus | 329.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.254 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1079.54; 1187.94] | J/mol×K | [860.80; 1058.59] | 
|
| Cp,gas | 1079.54 | J/mol×K | 860.80 | Joback Calculated Property |
| Cp,gas | 1099.53 | J/mol×K | 893.76 | Joback Calculated Property |
| Cp,gas | 1118.63 | J/mol×K | 926.73 | Joback Calculated Property |
| Cp,gas | 1136.94 | J/mol×K | 959.69 | Joback Calculated Property |
| Cp,gas | 1154.54 | J/mol×K | 992.66 | Joback Calculated Property |
| Cp,gas | 1171.51 | J/mol×K | 1025.62 | Joback Calculated Property |
| Cp,gas | 1187.94 | J/mol×K | 1058.59 | Joback Calculated Property |
| η | [0.0000028; 0.0001592] | Pa×s | [510.90; 860.80] |
|
| η | 0.0001592 | Pa×s | 510.90 | Joback Calculated Property |
| η | 0.0000576 | Pa×s | 569.22 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 627.53 | Joback Calculated Property |
| η | 0.0000127 | Pa×s | 685.85 | Joback Calculated Property |
| η | 0.0000071 | Pa×s | 744.17 | Joback Calculated Property |
| η | 0.0000043 | Pa×s | 802.48 | Joback Calculated Property |
| η | 0.0000028 | Pa×s | 860.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dinonylphenol.
Sources
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