- InChI
- InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(17)18-15-13-11-8-6-4-2/h3-15H2,1-2H3
- InChI Key
- ARSLOAKOWGOSEX-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCCC(=O)OCCCCCCC
- Molecular Weight1
- 256.42
- CAS
- 71605-85-1
- Other Names
-
- heptyl nonan-1-oate
- heptyl nonanoate
- 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.
- 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 | 0.8352 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.251 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1363.65 | kPa | Joback Calculated Property |
| Inp | [1779.00; 1779.00] |
|
|
| Inp | 1779.00 | NIST | |
| Inp | 1779.00 | NIST | |
| Tboil | 561.91 | K | Relay (1.0) Calculated Property |
| Tc | 739.97 | K | Relay (1.0) Calculated Property |
| Tfus | 257.61 ± 0.20 | K | NIST |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.85; 772.16] | J/mol×K | [641.77; 809.14] |
|
| Cp,gas | 675.85 | J/mol×K | 641.77 | Joback Calculated Property |
| Cp,gas | 693.74 | J/mol×K | 669.66 | Joback Calculated Property |
| Cp,gas | 710.87 | J/mol×K | 697.56 | Joback Calculated Property |
| Cp,gas | 727.27 | J/mol×K | 725.45 | Joback Calculated Property |
| Cp,gas | 742.94 | J/mol×K | 753.35 | Joback Calculated Property |
| Cp,gas | 757.90 | J/mol×K | 781.24 | Joback Calculated Property |
| Cp,gas | 772.16 | J/mol×K | 809.14 | Joback Calculated Property |
| η | [0.0001221; 0.0024033] | Pa×s | [342.24; 641.77] |
|
| η | 0.0024033 | Pa×s | 342.24 | Joback Calculated Property |
| η | 0.0010661 | Pa×s | 392.16 | Joback Calculated Property |
| η | 0.0005682 | Pa×s | 442.08 | Joback Calculated Property |
| η | 0.0003441 | Pa×s | 492.00 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 541.93 | Joback Calculated Property |
| η | 0.0001627 | Pa×s | 591.85 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 641.77 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [432.52; 607.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49106e+01 | |||
| Coefficient B | -4.87568e+03 | |||
| Coefficient C | -9.90960e+01 | |||
| Temperature range, min. | 432.52 | |||
| Temperature range, max. | 607.02 | |||
| Pvap | 1.33 | kPa | 432.52 | Calculated Property |
| Pvap | 2.98 | kPa | 451.91 | Calculated Property |
| Pvap | 6.12 | kPa | 471.30 | Calculated Property |
| Pvap | 11.70 | kPa | 490.69 | Calculated Property |
| Pvap | 21.05 | kPa | 510.08 | Calculated Property |
| Pvap | 35.93 | kPa | 529.46 | Calculated Property |
| Pvap | 58.55 | kPa | 548.85 | Calculated Property |
| Pvap | 91.65 | kPa | 568.24 | Calculated Property |
| Pvap | 138.44 | kPa | 587.63 | Calculated Property |
| Pvap | 202.64 | kPa | 607.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, heptyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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