- InChI
- InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
- InChI Key
- JMFFUDMJDZXYCT-BQYQJAHWSA-N
- Formula
- C9H16O2
- SMILES
- CCCCC/C=C/OC(C)=O
- Molecular Weight1
- 156.23
- Other Names
-
- 1-heptenyl acetate
- hept-1-en-1-ol acetate
- hept-1-enyl acetate
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.5241 | Relay (1.0) Calculated Property | |
| ΔfG° | -128.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.643 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Inp | [1234.00; 1234.00] |
|
|
| Inp | 1234.00 | NIST | |
| Inp | 1234.00 | NIST | |
| I | [1441.00; 1444.00] |
|
|
| I | 1441.00 | NIST | |
| I | 1444.00 | NIST | |
| I | 1441.00 | NIST | |
| Tboil | 456.64 | K | Relay (1.0) Calculated Property |
| Tc | 633.52 | K | Relay (1.0) Calculated Property |
| Tfus | 218.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.02; 375.62] | J/mol×K | [485.77; 667.32] |
|
| Cp,gas | 306.02 | J/mol×K | 485.77 | Joback Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 516.03 | Joback Calculated Property |
| Cp,gas | 331.30 | J/mol×K | 546.29 | Joback Calculated Property |
| Cp,gas | 343.15 | J/mol×K | 576.54 | Joback Calculated Property |
| Cp,gas | 354.47 | J/mol×K | 606.80 | Joback Calculated Property |
| Cp,gas | 365.29 | J/mol×K | 637.06 | Joback Calculated Property |
| Cp,gas | 375.62 | J/mol×K | 667.32 | Joback Calculated Property |
| η | [0.0002011; 0.0030655] | Pa×s | [258.27; 485.77] |
|
| η | 0.0030655 | Pa×s | 258.27 | Joback Calculated Property |
| η | 0.0014558 | Pa×s | 296.19 | Joback Calculated Property |
| η | 0.0008186 | Pa×s | 334.10 | Joback Calculated Property |
| η | 0.0005177 | Pa×s | 372.02 | Joback Calculated Property |
| η | 0.0003563 | Pa×s | 409.94 | Joback Calculated Property |
| η | 0.0002612 | Pa×s | 447.85 | Joback Calculated Property |
| η | 0.0002011 | Pa×s | 485.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hept-1-en-1-ol acetate.
Sources
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