- InChI
- InChI=1S/C11H13NO/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7H,2-3,8H2,1H3
- InChI Key
- RRGQINKVTNAIBB-UHFFFAOYSA-N
- Formula
- C11H13NO
- SMILES
- CCCCOc1ccc(C#N)cc1
- Molecular Weight1
- 175.23
- CAS
- 5203-14-5
- Other Names
-
- 4-(n-Butoxy)benzonitrile
- Benzonitrile, 4-butoxy-
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 172.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.737 | Crippen Calculated Property | |
| McVol | 149.340 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Tboil | 607.24 | K | Joback Calculated Property |
| Tc | 824.82 | K | Joback Calculated Property |
| Tfus | 339.89 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.61; 424.10] | J/mol×K | [607.24; 824.82] | 
|
| Cp,gas | 357.61 | J/mol×K | 607.24 | Joback Calculated Property |
| Cp,gas | 370.49 | J/mol×K | 643.50 | Joback Calculated Property |
| Cp,gas | 382.63 | J/mol×K | 679.77 | Joback Calculated Property |
| Cp,gas | 394.05 | J/mol×K | 716.03 | Joback Calculated Property |
| Cp,gas | 404.75 | J/mol×K | 752.29 | Joback Calculated Property |
| Cp,gas | 414.76 | J/mol×K | 788.56 | Joback Calculated Property |
| Cp,gas | 424.10 | J/mol×K | 824.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 398.50 ± 0.50 | K | 0.01 | NIST |
Similar Compounds
![[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-.](data:image/png;base64,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)
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