- InChI
- InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
- InChI Key
- BHUIUXNAPJIDOG-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- OCc1ccc2c(c1)OCO2
- Molecular Weight1
- 152.15
- CAS
- 495-76-1
- Other Names
-
- 1,3-Benzodioxole-5-methanol
- Benzyl alcohol, 3,4-(methylenedioxy)-
- Piperonol
- 1-Hydroxymethyl-3,4-methylenedioxybenzene
- 3,4-Methylenedioxybenzyl alcohol
- 5-Hydroxymethyl-1,3-benzodioxole
- 3,4-(Methylenedioxy)benzenemethanol
- 1,3-Benzodioxol-5-ylmethanol
- NSC 26265
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 0.6734 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.85 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 103.70 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 80.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.908 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Tboil | 528.16 | K | Relay (1.0) Calculated Property |
| Tc | 811.03 | K | Relay (1.0) Calculated Property |
| Tfus | 321.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.15; 305.48] | J/mol×K | [576.57; 788.41] | 
|
| Cp,gas | 258.15 | J/mol×K | 576.57 | Joback Calculated Property |
| Cp,gas | 267.48 | J/mol×K | 611.88 | Joback Calculated Property |
| Cp,gas | 276.17 | J/mol×K | 647.18 | Joback Calculated Property |
| Cp,gas | 284.27 | J/mol×K | 682.49 | Joback Calculated Property |
| Cp,gas | 291.82 | J/mol×K | 717.80 | Joback Calculated Property |
| Cp,gas | 298.88 | J/mol×K | 753.10 | Joback Calculated Property |
| Cp,gas | 305.48 | J/mol×K | 788.41 | Joback Calculated Property |
| η | [0.0002080; 0.0036357] | Pa×s | [367.52; 576.57] |
|
| η | 0.0036357 | Pa×s | 367.52 | Joback Calculated Property |
| η | 0.0018360 | Pa×s | 402.36 | Joback Calculated Property |
| η | 0.0010338 | Pa×s | 437.20 | Joback Calculated Property |
| η | 0.0006336 | Pa×s | 472.04 | Joback Calculated Property |
| η | 0.0004154 | Pa×s | 506.89 | Joback Calculated Property |
| η | 0.0002875 | Pa×s | 541.73 | Joback Calculated Property |
| η | 0.0002080 | Pa×s | 576.57 | Joback Calculated Property |
| ΔfusH | 18.05 | kJ/mol | 327.10 | NIST |
| ΔsubH | 103.00 ± 0.60 | kJ/mol | 312.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 433.00 ± 1.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Piperonyl alcohol.
Sources
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