- InChI
- InChI=1S/C13H24O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h6,8H,3-5,7,9-12H2,1-2H3/b8-6-
- InChI Key
- KBBLMMCEHYHHIW-VURMDHGXSA-N
- Formula
- C13H24O2
- SMILES
- CCC=CCCOC(=O)CCCCCC
- Molecular Weight1
- 212.33
- CAS
- 61444-39-1
- Other Names
-
- (3Z)-3-Hexenyl heptanoate
- cis-3-Hexenyl heptanoate
- (Z)-3-Hexenyl heptanoate
- (Z)-hex-3-enyl heptanoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -95.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.65 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 3.856 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | [1459.00; 1465.00] |
|
|
| Inp | 1462.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1462.00 | NIST | |
| I | [1730.00; 1755.00] |
|
|
| I | 1730.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1730.00 | NIST | |
| I | 1755.00 | NIST | |
| Tboil | 577.29 | K | Joback Calculated Property |
| Tc | 752.37 | K | Joback Calculated Property |
| Tfus | 303.35 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.80; 581.49] | J/mol×K | [577.29; 752.37] |
|
| Cp,gas | 495.80 | J/mol×K | 577.29 | Joback Calculated Property |
| Cp,gas | 511.75 | J/mol×K | 606.47 | Joback Calculated Property |
| Cp,gas | 527.01 | J/mol×K | 635.65 | Joback Calculated Property |
| Cp,gas | 541.59 | J/mol×K | 664.83 | Joback Calculated Property |
| Cp,gas | 555.52 | J/mol×K | 694.01 | Joback Calculated Property |
| Cp,gas | 568.82 | J/mol×K | 723.19 | Joback Calculated Property |
| Cp,gas | 581.49 | J/mol×K | 752.37 | Joback Calculated Property |
| η | [0.0001450; 0.0027407] | Pa×s | [303.35; 577.29] |
|
| η | 0.0027407 | Pa×s | 303.35 | Joback Calculated Property |
| η | 0.0012188 | Pa×s | 349.01 | Joback Calculated Property |
| η | 0.0006538 | Pa×s | 394.66 | Joback Calculated Property |
| η | 0.0003991 | Pa×s | 440.32 | Joback Calculated Property |
| η | 0.0002673 | Pa×s | 485.98 | Joback Calculated Property |
| η | 0.0001917 | Pa×s | 531.63 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 577.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 3-hexenyl ester, (Z)-.
Sources
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