- InChI
- InChI=1S/C20H32O2/c1-3-5-7-8-9-10-11-17-22-20(21)19-15-13-18(14-16-19)12-6-4-2/h13-16H,3-12,17H2,1-2H3
- InChI Key
- XKLMVDBBEMBEFD-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
- CCCCCCCCCOC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 304.47
- 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).
- 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 | 0.9361 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.937 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1260.16 | kPa | Joback Calculated Property |
| Inp | [2266.50; 2266.50] |
|
|
| Inp | 2266.50 | NIST | |
| Inp | 2266.50 | NIST | |
| Tboil | 627.18 | K | Relay (1.0) Calculated Property |
| Tc | 821.23 | K | Relay (1.0) Calculated Property |
| Tfus | 265.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.35; 913.30] | J/mol×K | [747.08; 936.11] |
|
| Cp,gas | 818.35 | J/mol×K | 747.08 | Joback Calculated Property |
| Cp,gas | 836.73 | J/mol×K | 778.59 | Joback Calculated Property |
| Cp,gas | 854.04 | J/mol×K | 810.09 | Joback Calculated Property |
| Cp,gas | 870.33 | J/mol×K | 841.60 | Joback Calculated Property |
| Cp,gas | 885.61 | J/mol×K | 873.10 | Joback Calculated Property |
| Cp,gas | 899.93 | J/mol×K | 904.61 | Joback Calculated Property |
| Cp,gas | 913.30 | J/mol×K | 936.11 | Joback Calculated Property |
| η | [0.0000660; 0.0013756] | Pa×s | [396.43; 747.08] |
|
| η | 0.0013756 | Pa×s | 396.43 | Joback Calculated Property |
| η | 0.0005990 | Pa×s | 454.87 | Joback Calculated Property |
| η | 0.0003152 | Pa×s | 513.31 | Joback Calculated Property |
| η | 0.0001891 | Pa×s | 571.75 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 630.20 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 688.64 | Joback Calculated Property |
| η | 0.0000660 | Pa×s | 747.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-butylbenzoic acid, nonyl ester.
Sources
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