- InChI
- InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
- InChI Key
- FPCCDPXRNNVUOM-UHFFFAOYSA-N
- Formula
- C10H22O2
- SMILES
- CC(CCO)CCCC(C)(C)O
- Molecular Weight1
- 174.28
- CAS
- 107-74-4
- Other Names
-
- 1,2-Octandiol, 3,7-dimethyl-
- 1,2-Octanediol, 3,7-dimethyl-
- 1-Octanol, 3,7-dimethyl-7-hydroxy-
- 2,8-Octanediol, 2,6-dimethyl-
- 3,7-Dimethyl-1,7-octanediol
- 3,7-dimethyloctane-1,7-diol
- 7-Hydroxy-3,7-dimethyloctan-1-ol
- 7-Hydroxy-6,7-dihydrocitronellol
- Citronellol hydrate
- Citronellol, hydroxy-
- NSC 406140
- Octane-1,7-diol, 3,7-dimethyl
- 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).
- Pvap : Vapor pressure (kPa).
- 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° | -239.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 1.946 | Crippen Calculated Property | |
| McVol | 163.500 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Tboil | 608.89 | K | Joback Calculated Property |
| Tc | 774.28 | K | Joback Calculated Property |
| Tfus | 311.52 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.21; 510.46] | J/mol×K | [608.89; 774.28] | 
|
| Cp,gas | 445.21 | J/mol×K | 608.89 | Joback Calculated Property |
| Cp,gas | 457.43 | J/mol×K | 636.46 | Joback Calculated Property |
| Cp,gas | 469.08 | J/mol×K | 664.02 | Joback Calculated Property |
| Cp,gas | 480.18 | J/mol×K | 691.59 | Joback Calculated Property |
| Cp,gas | 490.76 | J/mol×K | 719.15 | Joback Calculated Property |
| Cp,gas | 500.85 | J/mol×K | 746.72 | Joback Calculated Property |
| Cp,gas | 510.46 | J/mol×K | 774.28 | Joback Calculated Property |
| η | [0.0000237; 0.0572327] | Pa×s | [311.52; 608.89] |
|
| η | 0.0572327 | Pa×s | 311.52 | Joback Calculated Property |
| η | 0.0064076 | Pa×s | 361.08 | Joback Calculated Property |
| η | 0.0012170 | Pa×s | 410.64 | Joback Calculated Property |
| η | 0.0003306 | Pa×s | 460.20 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 509.77 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 559.33 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 608.89 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [417.52; 549.97] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.77056e+01 | |||
| Coefficient B | -5.69159e+03 | |||
| Coefficient C | -9.07560e+01 | |||
| Temperature range, min. | 417.52 | |||
| Temperature range, max. | 549.97 | |||
| Pvap | 1.33 | kPa | 417.52 | Calculated Property |
| Pvap | 2.82 | kPa | 432.24 | Calculated Property |
| Pvap | 5.62 | kPa | 446.95 | Calculated Property |
| Pvap | 10.60 | kPa | 461.67 | Calculated Property |
| Pvap | 19.04 | kPa | 476.39 | Calculated Property |
| Pvap | 32.75 | kPa | 491.10 | Calculated Property |
| Pvap | 54.22 | kPa | 505.82 | Calculated Property |
| Pvap | 86.71 | kPa | 520.54 | Calculated Property |
| Pvap | 134.43 | kPa | 535.25 | Calculated Property |
| Pvap | 202.64 | kPa | 549.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Octanediol, 3,7-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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