- InChI
- InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3+
- InChI Key
- XJHQVZQZUGLZLS-ONEGZZNKSA-N
- Formula
- C7H12O2
- SMILES
- CCC=CCCOC=O
- Molecular Weight1
- 128.17
- CAS
- 2315-09-5
- Other Names
-
- 3-Hexen-1-ol, formate
- hex-3-enyl formate
- 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 | 0.4096 | Relay (... Calculated Property | |
| ΔfG° | -116.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.70 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.31 | kJ/mol | Relay (... Calculated Property |
| IE | 9.61 | eV | Relay (... Calculated Property |
| log10WS | -1.84 | Relay (... Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Inp | 913.90 | NIST | |
| I | 1416.00 | NIST | |
| Tboil | 419.94 | K | Relay (... Calculated Property |
| Tc | 597.54 | K | Relay (... Calculated Property |
| Tfus | 189.19 | K | Relay (... Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.30; 280.76] | J/mol×K | [434.80; 614.89] | 
|
| Cp,gas | 224.30 | J/mol×K | 434.80 | Joback Calculated Property |
| Cp,gas | 234.73 | J/mol×K | 464.82 | Joback Calculated Property |
| Cp,gas | 244.75 | J/mol×K | 494.83 | Joback Calculated Property |
| Cp,gas | 254.34 | J/mol×K | 524.85 | Joback Calculated Property |
| Cp,gas | 263.54 | J/mol×K | 554.86 | Joback Calculated Property |
| Cp,gas | 272.34 | J/mol×K | 584.88 | Joback Calculated Property |
| Cp,gas | 280.76 | J/mol×K | 614.89 | Joback Calculated Property |
| η | [0.0002367; 0.0032988] | Pa×s | [227.80; 434.80] |
|
| η | 0.0032988 | Pa×s | 227.80 | Joback Calculated Property |
| η | 0.0015932 | Pa×s | 262.30 | Joback Calculated Property |
| η | 0.0009113 | Pa×s | 296.80 | Joback Calculated Property |
| η | 0.0005856 | Pa×s | 331.30 | Joback Calculated Property |
| η | 0.0004090 | Pa×s | 365.80 | Joback Calculated Property |
| η | 0.0003039 | Pa×s | 400.30 | Joback Calculated Property |
| η | 0.0002367 | Pa×s | 434.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hexenylformate.
Sources
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