- InChI
- InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
- InChI Key
- POPNTVRHTZDEBW-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 212.33
- CAS
- 141-14-0
- Other Names
-
- 6-Octen-1-ol, 3,7-dimethyl-, propionate
- Citronellyl n-proprionate
- Citronellyl propanoate
- Citronellyl propianoate
- Citronellyl propionate
- 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).
- 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 | 0.5813 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.712 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [1424.70; 1446.00] |
|
|
| Inp | 1424.70 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1437.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1445.30 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1430.00 | NIST | |
| Inp | 1426.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1445.30 | NIST | |
| Inp | 1424.70 | NIST | |
| Inp | 1427.00 | NIST | |
| I | [1700.00; 1738.00] |
|
|
| I | 1738.00 | NIST | |
| I | 1736.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1738.00 | NIST | |
| I | 1736.00 | NIST | |
| Tboil | 517.44 | K | Relay (1.0) Calculated Property |
| Tc | 684.24 | K | Relay (1.0) Calculated Property |
| Tfus | 213.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.91; 584.19] | J/mol×K | [576.73; 757.65] |
|
| Cp,gas | 495.91 | J/mol×K | 576.73 | Joback Calculated Property |
| Cp,gas | 512.41 | J/mol×K | 606.88 | Joback Calculated Property |
| Cp,gas | 528.17 | J/mol×K | 637.04 | Joback Calculated Property |
| Cp,gas | 543.21 | J/mol×K | 667.19 | Joback Calculated Property |
| Cp,gas | 557.54 | J/mol×K | 697.35 | Joback Calculated Property |
| Cp,gas | 571.19 | J/mol×K | 727.50 | Joback Calculated Property |
| Cp,gas | 584.19 | J/mol×K | 757.65 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [410.12; 565.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56693e+01 | |||
| Coefficient B | -4.91451e+03 | |||
| Coefficient C | -9.06170e+01 | |||
| Temperature range, min. | 410.12 | |||
| Temperature range, max. | 565.09 | |||
| Pvap | 1.33 | kPa | 410.12 | Calculated Property |
| Pvap | 2.93 | kPa | 427.34 | Calculated Property |
| Pvap | 5.95 | kPa | 444.56 | Calculated Property |
| Pvap | 11.34 | kPa | 461.78 | Calculated Property |
| Pvap | 20.40 | kPa | 479.00 | Calculated Property |
| Pvap | 34.90 | kPa | 496.21 | Calculated Property |
| Pvap | 57.17 | kPa | 513.43 | Calculated Property |
| Pvap | 90.10 | kPa | 530.65 | Calculated Property |
| Pvap | 137.20 | kPa | 547.87 | Calculated Property |
| Pvap | 202.65 | kPa | 565.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Octen-1-ol, 3,7-dimethyl-, propanoate.
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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