- InChI
- InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+
- InChI Key
- NMQQBXHZBNUXGJ-SNAWJCMRSA-N
- Formula
- C6H8O2
- SMILES
- C=CC=COC(C)=O
- Molecular Weight1
- 112.13
- CAS
- 1515-76-0
- Other Names
-
- 1-Acetoxy-1,3-butadiene
- Butadienyl acetate
- 1-Acetoxybutadiene
- 1,3-Butadienyl acetate
- Acetic acid, 1,3-butadienyl ester
- 1,3-Butadienylester kyseliny octove
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -66.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.40 | Crippen Calculated Property | |
| logPoct/wat | 1.249 | Crippen Calculated Property | |
| McVol | 94.240 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Tboil | 413.81 | K | Joback Calculated Property |
| Tc | 604.45 | K | Joback Calculated Property |
| Tfus | 229.10 ± 0.60 | K | NIST |
| Vc | 0.356 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.29; 216.19] | J/mol×K | [413.81; 604.45] | 
|
| Cp,gas | 169.29 | J/mol×K | 413.81 | Joback Calculated Property |
| Cp,gas | 178.07 | J/mol×K | 445.58 | Joback Calculated Property |
| Cp,gas | 186.44 | J/mol×K | 477.36 | Joback Calculated Property |
| Cp,gas | 194.43 | J/mol×K | 509.13 | Joback Calculated Property |
| Cp,gas | 202.05 | J/mol×K | 540.91 | Joback Calculated Property |
| Cp,gas | 209.30 | J/mol×K | 572.68 | Joback Calculated Property |
| Cp,gas | 216.19 | J/mol×K | 604.45 | Joback Calculated Property |
| η | [0.0002222; 0.0024368] | Pa×s | [222.70; 413.81] |
|
| η | 0.0024368 | Pa×s | 222.70 | Joback Calculated Property |
| η | 0.0012736 | Pa×s | 254.55 | Joback Calculated Property |
| η | 0.0007690 | Pa×s | 286.40 | Joback Calculated Property |
| η | 0.0005137 | Pa×s | 318.25 | Joback Calculated Property |
| η | 0.0003692 | Pa×s | 350.11 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 381.96 | Joback Calculated Property |
| η | 0.0002222 | Pa×s | 413.81 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 333.70 | K | 5.30 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Butadien-1-ol, acetate.
Sources
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