- InChI
- InChI=1S/C13H20O2/c1-2-3-4-5-6-7-11-8-12(14)10-13(15)9-11/h8-10,14-15H,2-7H2,1H3
- InChI Key
- QENPJKGENOZEEJ-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- CCCCCCCc1cc(O)cc(O)c1
- Molecular Weight1
- 208.30
- CAS
- 500-67-4
- Other Names
-
- 1,3-Benzenediol, 5-heptyl-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.8456 | Relay (... Calculated Property | |
| ΔfG° | -138.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.47 | eV | Relay (... Calculated Property |
| log10WS | -4.69 | Relay (... Calculated Property | |
| logPoct/wat | 3.611 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Tboil | 598.39 | K | Relay (... Calculated Property |
| Tc | 816.84 | K | Relay (... Calculated Property |
| Tfus | 353.02 | K | Relay (... Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.57; 585.19] | J/mol×K | [684.76; 901.66] | 
|
| Cp,gas | 509.57 | J/mol×K | 684.76 | Joback Calculated Property |
| Cp,gas | 523.63 | J/mol×K | 720.91 | Joback Calculated Property |
| Cp,gas | 536.95 | J/mol×K | 757.06 | Joback Calculated Property |
| Cp,gas | 549.64 | J/mol×K | 793.21 | Joback Calculated Property |
| Cp,gas | 561.82 | J/mol×K | 829.36 | Joback Calculated Property |
| Cp,gas | 573.63 | J/mol×K | 865.51 | Joback Calculated Property |
| Cp,gas | 585.19 | J/mol×K | 901.66 | Joback Calculated Property |
| η | [0.0000020; 0.0001000] | Pa×s | [486.13; 684.76] |
|
| η | 0.0001000 | Pa×s | 486.13 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 519.24 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 552.34 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 585.44 | Joback Calculated Property |
| η | 0.0000055 | Pa×s | 618.55 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 651.65 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 684.76 | Joback Calculated Property |
| ΔvapH | 91.60 | kJ/mol | 473.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 490.00 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to 5-Heptylresorcinol.
Sources
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