- InChI
- InChI=1S/C17H32O2/c1-5-6-7-8-12-17(18)19-14-13-16(4)11-9-10-15(2)3/h10,16H,5-9,11-14H2,1-4H3
- InChI Key
- JZTNHMKNNVAGPD-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
- CCCCCCC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 268.43
- CAS
- 72934-17-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 | 0.7350 | Relay (... Calculated Property | |
| ΔfG° | -72.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -5.16 | Relay (... Calculated Property | |
| logPoct/wat | 5.273 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | [1796.00; 1820.30] |
|
|
| Inp | 1819.00 | NIST | |
| Inp | 1820.30 | NIST | |
| Inp | 1796.00 | NIST | |
| Inp | 1819.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Inp | 1820.30 | NIST | |
| Tboil | 570.61 | K | Relay (... Calculated Property |
| Tc | 736.75 | K | Relay (... Calculated Property |
| Tfus | 227.40 | K | Relay (... Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.05; 808.95] | J/mol×K | [668.25; 844.66] |
|
| Cp,gas | 711.05 | J/mol×K | 668.25 | Joback Calculated Property |
| Cp,gas | 729.41 | J/mol×K | 697.65 | Joback Calculated Property |
| Cp,gas | 746.91 | J/mol×K | 727.05 | Joback Calculated Property |
| Cp,gas | 763.59 | J/mol×K | 756.46 | Joback Calculated Property |
| Cp,gas | 779.47 | J/mol×K | 785.86 | Joback Calculated Property |
| Cp,gas | 794.58 | J/mol×K | 815.26 | Joback Calculated Property |
| Cp,gas | 808.95 | J/mol×K | 844.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl heptanoate.
Sources
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