- InChI
- InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
- InChI Key
- VSUKEWPHURLYTK-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCCCCCc1ccc(C(=O)O)cc1
- Molecular Weight1
- 220.31
- CAS
- 38350-87-7
- Other Names
-
- Benzoic acid, 4-heptyl-
- p-heptylbenzoic acid
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -95.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 1.00 | kJ/mol | Thermod... |
| ΔsubH° | 130.00 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 73.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 3.898 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Tboil | 697.43 | K | Joback Calculated Property |
| Tc | 889.73 | K | Joback Calculated Property |
| Tfus | 376.00 ± 1.00 | K | NIST |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.16; 597.61] | J/mol×K | [697.43; 889.73] | 
|
| Cp,gas | 527.16 | J/mol×K | 697.43 | Joback Calculated Property |
| Cp,gas | 540.70 | J/mol×K | 729.48 | Joback Calculated Property |
| Cp,gas | 553.48 | J/mol×K | 761.53 | Joback Calculated Property |
| Cp,gas | 565.53 | J/mol×K | 793.58 | Joback Calculated Property |
| Cp,gas | 576.88 | J/mol×K | 825.63 | Joback Calculated Property |
| Cp,gas | 587.57 | J/mol×K | 857.68 | Joback Calculated Property |
| Cp,gas | 597.61 | J/mol×K | 889.73 | Joback Calculated Property |
| η | [0.0000462; 0.0022271] | Pa×s | [397.23; 697.43] |
|
| η | 0.0022271 | Pa×s | 397.23 | Joback Calculated Property |
| η | 0.0008134 | Pa×s | 447.26 | Joback Calculated Property |
| η | 0.0003638 | Pa×s | 497.30 | Joback Calculated Property |
| η | 0.0001885 | Pa×s | 547.33 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 597.36 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 647.40 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 697.43 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [427.00; 675.73] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.20363e+01 | |||
| Coefficient B | -3.91173e+03 | |||
| Coefficient C | -9.40500e+01 | |||
| Temperature range, min. | 427.00 | |||
| Temperature range, max. | 675.73 | |||
| Pvap | 1.33 | kPa | 427.00 | Calculated Property |
| Pvap | 3.28 | kPa | 454.64 | Calculated Property |
| Pvap | 7.10 | kPa | 482.27 | Calculated Property |
| Pvap | 13.87 | kPa | 509.91 | Calculated Property |
| Pvap | 24.93 | kPa | 537.55 | Calculated Property |
| Pvap | 41.82 | kPa | 565.18 | Calculated Property |
| Pvap | 66.26 | kPa | 592.82 | Calculated Property |
| Pvap | 100.01 | kPa | 620.46 | Calculated Property |
| Pvap | 144.89 | kPa | 648.09 | Calculated Property |
| Pvap | 202.64 | kPa | 675.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptylbenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study of the sublimation of eight 4-n-alkylbenzoic acids
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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