Chemical Properties of 1,3-Octanediol (CAS 23433-05-8)

InChI

InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3

InChI Key

DCTMXCOHGKSXIZ-UHFFFAOYSA-N

Formula

C8H18O2

SMILES

CCCCCC(O)CCO

Molecular Weight¹

146.23

CAS

23433-05-8

Other Names

• Propane-1,3-diol, 1-pentyl-
• octane-1,3-diol

• 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).
• I_np : Non-polar retention indices.
• 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	[345.21; 401.45]	J/mol×K	[566.36; 725.59]
Cp,gas	345.21	J/mol×K	566.36	Joback Calculated Property
Cp,gas	355.57	J/mol×K	592.90	Joback Calculated Property
Cp,gas	365.52	J/mol×K	619.44	Joback Calculated Property
Cp,gas	375.08	J/mol×K	645.97	Joback Calculated Property
Cp,gas	384.24	J/mol×K	672.51	Joback Calculated Property
Cp,gas	393.03	J/mol×K	699.05	Joback Calculated Property
Cp,gas	401.45	J/mol×K	725.59	Joback Calculated Property
η	[0.0000436; 0.1095688]	Pa×s	[286.56; 566.36]
η	0.1095688	Pa×s	286.56	Joback Calculated Property
η	0.0119272	Pa×s	333.19	Joback Calculated Property
η	0.0022382	Pa×s	379.83	Joback Calculated Property
η	0.0006056	Pa×s	426.46	Joback Calculated Property
η	0.0002120	Pa×s	473.09	Joback Calculated Property
η	0.0000896	Pa×s	519.73	Joback Calculated Property
η	0.0000436	Pa×s	566.36	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[415.92; 539.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.85814e+01
Coefficient B			-5.95865e+03
Coefficient C			-9.02000e+01
Temperature range, min.			415.92
Temperature range, max.			539.24
Pvap	1.33	kPa	415.92	Calculated Property
Pvap	2.79	kPa	429.62	Calculated Property
Pvap	5.51	kPa	443.32	Calculated Property
Pvap	10.36	kPa	457.03	Calculated Property
Pvap	18.59	kPa	470.73	Calculated Property
Pvap	32.03	kPa	484.43	Calculated Property
Pvap	53.22	kPa	498.13	Calculated Property
Pvap	85.55	kPa	511.84	Calculated Property
Pvap	133.48	kPa	525.54	Calculated Property
Pvap	202.68	kPa	539.24	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Octanediol.

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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