- 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-ARJAWSKDSA-N
- Formula
- C7H12O2
- SMILES
- CCC=CCCOC=O
- Molecular Weight1
- 128.17
- CAS
- 33467-73-1
- Other Names
-
- (3Z)-3-Hexenyl formate
- (Z)-3-Hexenyl format
- (Z)-3-hexenyl formate
- (Z)-Hex-3-enyl formate
- cis-3-Hexen-1-ol formate
- cis-3-Hexenyl formate
- cis-«beta»-Hexenyl formate
- «beta»,«gamma»-Hexenyl methanoate
- 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).
- Pvap : Vapor 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 (1.0) Calculated Property | |
| ΔfG° | -169.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | [902.00; 920.00] |
|
|
| Inp | 903.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 902.40 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 903.00 | NIST | |
| I | [1252.00; 1261.00] |
|
|
| I | 1254.00 | NIST | |
| I | 1258.00 | NIST | |
| I | 1261.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1252.00 | NIST | |
| Tboil | 419.94 | K | Relay (1.0) Calculated Property |
| Tc | 604.91 | K | Relay (1.0) Calculated Property |
| Tfus | 190.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.80; 341.86] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.26570e+01 | |||
| Coefficient B | 7.37120e-01 | |||
| Coefficient C | -5.53600e-04 | |||
| Coefficient D | 1.71000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 150.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 186.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 217.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 243.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 266.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 285.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 302.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 316.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 329.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 341.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [338.15; 438.86] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.89075e+01 | |||
| Coefficient B | -5.07474e+03 | |||
| Coefficient C | -6.56080e+01 | |||
| Temperature range, min. | 338.15 | |||
| Temperature range, max. | 438.86 | |||
| Pvap | 1.33 | kPa | 338.15 | Calculated Property |
| Pvap | 2.78 | kPa | 349.34 | Calculated Property |
| Pvap | 5.48 | kPa | 360.53 | Calculated Property |
| Pvap | 10.27 | kPa | 371.72 | Calculated Property |
| Pvap | 18.43 | kPa | 382.91 | Calculated Property |
| Pvap | 31.78 | kPa | 394.10 | Calculated Property |
| Pvap | 52.87 | kPa | 405.29 | Calculated Property |
| Pvap | 85.14 | kPa | 416.48 | Calculated Property |
| Pvap | 133.13 | kPa | 427.67 | Calculated Property |
| Pvap | 202.65 | kPa | 438.86 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexen-1-ol, formate, (Z)-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
- Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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