- InChI
- InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3
- InChI Key
- ZTJORNVITHUQJA-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- CCCCCCCOC(=O)c1ccc(O)cc1
- Molecular Weight1
- 236.31
- CAS
- 1085-12-7
- Other Names
-
- Benzoic acid, 4-hydroxy-, heptyl ester
- Benzoic acid, p-hydroxy-, heptyl ester
- Heptyl 4-hydroxybenzoate
- Heptyl p-hydroxybenzoate
- Heptyl paraben
- NSC 309818
- Nipaheptyl
- Staypro WS 7
- n-Heptyl 4-hydroxybenzoate
- n-Heptyl p-hydroxybenzoate
- p-Hydroxybenzoic acid heptyl ester
- p-Oxybenzoesaureheptylester
- 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 | 0.8556 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -573.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Aq. Solubility Prediction | |
| logPoct/wat | 3.519 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Tboil | 601.88 | K | Relay (1.0) Calculated Property |
| Tc | 807.52 | K | Relay (1.0) Calculated Property |
| Tfus | 346.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.38; 627.49] | J/mol×K | [703.31; 912.60] | 
|
| Cp,gas | 551.38 | J/mol×K | 703.31 | Joback Calculated Property |
| Cp,gas | 565.93 | J/mol×K | 738.19 | Joback Calculated Property |
| Cp,gas | 579.65 | J/mol×K | 773.07 | Joback Calculated Property |
| Cp,gas | 592.60 | J/mol×K | 807.95 | Joback Calculated Property |
| Cp,gas | 604.85 | J/mol×K | 842.84 | Joback Calculated Property |
| Cp,gas | 616.46 | J/mol×K | 877.72 | Joback Calculated Property |
| Cp,gas | 627.49 | J/mol×K | 912.60 | Joback Calculated Property |
| η | [0.0000133; 0.0004261] | Pa×s | [457.84; 703.31] |
|
| η | 0.0004261 | Pa×s | 457.84 | Joback Calculated Property |
| η | 0.0001888 | Pa×s | 498.75 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 539.66 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 580.58 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 621.49 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 662.40 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 703.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-hydroxy-, n-heptyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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