Chemical Properties of 1,7-Octanediol, 3,7-dimethyl- (CAS 107-74-4)

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 Yaws Handbook of Vapor Pressure
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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