Chemical Properties of 1,8-Octanediol (CAS 629-41-4)

InChI

InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

InChI Key

OEIJHBUUFURJLI-UHFFFAOYSA-N

Formula

C8H18O2

SMILES

OCCCCCCCCO

Molecular Weight¹

146.23

CAS

629-41-4

Other Names

• 1,8-dihydroxyoctane
• Octan-1,8-diol
• octamethylene glycol
• octane, 1,8-dihydroxy-
• octane-1,8-diol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8577		Relay (1.0) Calculated Property
ΔcH°solid	-5094.00 ± 4.80	kJ/mol	NIST
ΔfG°	-257.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-487.30 ± 4.90	kJ/mol	NIST
ΔfH°solid	-626.60 ± 4.80	kJ/mol	NIST
ΔfusH°	24.65	kJ/mol	Joback Calculated Property
ΔsubH°	[139.30; 139.30]	kJ/mol
ΔsubH°	139.30 ± 0.90	kJ/mol	NIST
ΔsubH°	139.30	kJ/mol	NIST
ΔsubH°	139.30 ± 0.90	kJ/mol	NIST
ΔsubH°	139.30 ± 0.90	kJ/mol	NIST
ΔsubH°	139.30	kJ/mol	NIST
ΔsubH°	139.30 ± 0.90	kJ/mol	NIST
ΔvapH°	[105.40; 107.00]	kJ/mol
ΔvapH°	107.00 ± 2.20	kJ/mol	NIST
ΔvapH°	105.40 ± 1.80	kJ/mol	NIST
ΔvapH°	105.40 ± 1.80	kJ/mol	NIST
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-1.92		Relay (1.0) Calculated Property
logPoct/wat	1.312		Crippen Calculated Property
McVol	135.320	ml/mol	McGowan Calculated Property
Pc	3079.57	kPa	Joback Calculated Property
Inp	1313.00		NIST
Ip	[2366.00; 2366.00]
Ip	2366.00		NIST
Ip	2366.00		NIST
Tboil	543.66	K	Relay (1.0) Calculated Property
Tc	752.00	K	Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
Tfus	[331.60; 334.65]	K
Tfus	331.60	K	Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
Tfus	334.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	[332.70; 332.70]	K
Ttriple	332.70 ± 0.10	K	NIST
Ttriple	332.70 ± 0.10	K	NIST
Vc	0.515	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[371.35; 396.17]	J/mol×K	[333.65; 353.15]
Cp,liquid	371.35	J/mol×K	333.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	373.24	J/mol×K	335.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	375.13	J/mol×K	336.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	377.03	J/mol×K	338.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	378.93	J/mol×K	339.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	380.83	J/mol×K	341.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	382.74	J/mol×K	342.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	384.65	J/mol×K	344.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	386.56	J/mol×K	345.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	388.48	J/mol×K	347.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	390.40	J/mol×K	348.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	392.32	J/mol×K	350.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	394.24	J/mol×K	351.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	396.17	J/mol×K	353.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
ΔfusH	[36.10; 36.10]	kJ/mol	[332.80; 332.80]
ΔfusH	36.10	kJ/mol	332.80	NIST
ΔfusH	36.10	kJ/mol	332.80	NIST
ΔvapH	[101.00; 104.90]	kJ/mol	[298.15; 356.00]
ΔvapH	104.90	kJ/mol	298.15	Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
ΔvapH	101.00	kJ/mol	356.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.19; 469.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.19800e+00
Coefficient B			8.31800e-01
Coefficient C			-4.72200e-04
Coefficient D			1.03600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.19	J/mol×K	273.00	Calculated Property
Cp,gas	245.96	J/mol×K	353.78	Calculated Property
Cp,gas	286.99	J/mol×K	434.56	Calculated Property
Cp,gas	323.63	J/mol×K	515.33	Calculated Property
Cp,gas	356.19	J/mol×K	596.11	Calculated Property
Cp,gas	385.01	J/mol×K	676.89	Calculated Property
Cp,gas	410.41	J/mol×K	757.67	Calculated Property
Cp,gas	432.73	J/mol×K	838.44	Calculated Property
Cp,gas	452.28	J/mol×K	919.22	Calculated Property
Cp,gas	469.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0122079; 0.0000854]	Pa×s	[333.12; 526.40]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.79228e+01
Coefficient B			4.50290e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			333.12
Temperature range, max.			526.40
η	0.0122079	Pa×s	333.12	Calculated Property
η	0.0053842	Pa×s	354.60	Calculated Property
η	0.0026074	Pa×s	376.07	Calculated Property
η	0.0013656	Pa×s	397.55	Calculated Property
η	0.0007642	Pa×s	419.02	Calculated Property
η	0.0004526	Pa×s	440.50	Calculated Property
η	0.0002814	Pa×s	461.98	Calculated Property
η	0.0001825	Pa×s	483.45	Calculated Property
η	0.0001228	Pa×s	504.92	Calculated Property
η	0.0000854	Pa×s	526.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[422.32; 537.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.97169e+01
Coefficient B			-6.40965e+03
Coefficient C			-9.24240e+01
Temperature range, min.			422.32
Temperature range, max.			537.37
Pvap	1.33	kPa	422.32	Calculated Property
Pvap	2.75	kPa	435.10	Calculated Property
Pvap	5.39	kPa	447.89	Calculated Property
Pvap	10.08	kPa	460.67	Calculated Property
Pvap	18.08	kPa	473.45	Calculated Property
Pvap	31.22	kPa	486.24	Calculated Property
Pvap	52.08	kPa	499.02	Calculated Property
Pvap	84.20	kPa	511.80	Calculated Property
Pvap	132.33	kPa	524.59	Calculated Property
Pvap	202.64	kPa	537.37	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Octanediol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
• Partial molar volumes of organic solutes in water. XXIV. Selected alkane-alpha,omega-diols at temperatures T = 298 K to 573 K and pressures up to 30 MPa
• Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
• Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
• Partial Molar Volumes and Partial Molar Isentropic Compressions of Selected Alkane-?,?-diols at Infinite Dilution in Water at Temperatures T = (278 to 318) K and Atmospheric Pressure
• Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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