Chemical Properties of 1,9-Nonanediol (CAS 3937-56-2)

InChI

InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

InChI Key

ALVZNPYWJMLXKV-UHFFFAOYSA-N

Formula

C9H20O2

SMILES

OCCCCCCCCCO

Molecular Weight¹

160.25

CAS

3937-56-2

Other Names

• .alpha.,.omega.-nonanediol
• 1,9-dihydroxynonane
• nonane-1,9-diol
• «alpha»,«OMEGA»-Nonanediol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid 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_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.
• 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	0.8931		Relay (1.0) Calculated Property
ΔcH°liquid	-5742.30 ± 7.00	kJ/mol	NIST
ΔfG°	-248.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-508.90 ± 7.10	kJ/mol	NIST
ΔfH°liquid	-657.60 ± 7.00	kJ/mol	NIST
ΔfusH°	27.24	kJ/mol	Joback Calculated Property
ΔvapH°	[111.40; 148.70]	kJ/mol
ΔvapH°	111.40 ± 7.00	kJ/mol	NIST
ΔvapH°	148.70 ± 1.10	kJ/mol	NIST
ΔvapH°	148.70	kJ/mol	NIST
ΔvapH°	112.80 ± 2.10	kJ/mol	NIST
ΔvapH°	148.70 ± 1.10	kJ/mol	NIST
ΔvapH°	148.70	kJ/mol	NIST
ΔvapH°	112.80 ± 2.10	kJ/mol	NIST
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-2.45		Relay (1.0) Calculated Property
logPoct/wat	1.702		Crippen Calculated Property
McVol	149.410	ml/mol	McGowan Calculated Property
Pc	2775.92	kPa	Joback Calculated Property
Inp	1414.00		NIST
Tboil	555.74	K	Relay (1.0) Calculated Property
Tc	760.00	K	Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
Tfus	[318.70; 319.55]	K
Tfus	318.70	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	319.55	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	[319.50; 319.50]	K
Ttriple	319.50 ± 0.10	K	NIST
Ttriple	319.50 ± 0.10	K	NIST
Vc	0.574	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[389.02; 436.95]	J/mol×K	[318.65; 353.15]
Cp,liquid	389.02	J/mol×K	318.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	391.15	J/mol×K	320.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	393.27	J/mol×K	321.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	395.39	J/mol×K	323.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	397.51	J/mol×K	324.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	399.62	J/mol×K	326.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	401.73	J/mol×K	327.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	403.84	J/mol×K	329.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	405.94	J/mol×K	330.65	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	408.03	J/mol×K	332.15	Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
Cp,liquid	410.12	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	412.21	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	414.30	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	416.38	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	418.45	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	420.52	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	422.59	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	424.66	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	426.72	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	428.77	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	430.82	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	432.87	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	434.92	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	436.95	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	[36.40; 36.40]	kJ/mol	[319.60; 319.60]
ΔfusH	36.40	kJ/mol	319.60	NIST
ΔfusH	36.40	kJ/mol	319.60	NIST
ΔvapH	[104.40; 112.50]	kJ/mol	[298.15; 360.00]
ΔvapH	112.50	kJ/mol	298.15	Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
ΔvapH	110.00	kJ/mol	323.00	NIST
ΔvapH	110.00	kJ/mol	323.00	NIST
ΔvapH	104.40	kJ/mol	360.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[447.20; 450.20]	K	[2.00; 2.70]
Tboilr	450.20	K	2.00	NIST
Tboilr	447.20	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.41; 520.99]	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			5.28900e+00
Coefficient B			9.26800e-01
Coefficient C			-5.26600e-04
Coefficient D			1.15500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.41	J/mol×K	273.00	Calculated Property
Cp,gas	272.38	J/mol×K	353.78	Calculated Property
Cp,gas	318.07	J/mol×K	434.56	Calculated Property
Cp,gas	358.86	J/mol×K	515.33	Calculated Property
Cp,gas	395.10	J/mol×K	596.11	Calculated Property
Cp,gas	427.17	J/mol×K	676.89	Calculated Property
Cp,gas	455.43	J/mol×K	757.67	Calculated Property
Cp,gas	480.24	J/mol×K	838.44	Calculated Property
Cp,gas	501.97	J/mol×K	919.22	Calculated Property
Cp,gas	520.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0266486; 0.0000836]	Pa×s	[319.12; 532.00]	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			-1.80302e+01
Coefficient B			4.59706e+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.			319.12
Temperature range, max.			532.00
η	0.0266486	Pa×s	319.12	Calculated Property
η	0.0098624	Pa×s	342.78	Calculated Property
η	0.0041498	Pa×s	366.43	Calculated Property
η	0.0019393	Pa×s	390.08	Calculated Property
η	0.0009887	Pa×s	413.74	Calculated Property
η	0.0005421	Pa×s	437.39	Calculated Property
η	0.0003162	Pa×s	461.04	Calculated Property
η	0.0001944	Pa×s	484.69	Calculated Property
η	0.0001250	Pa×s	508.35	Calculated Property
η	0.0000836	Pa×s	532.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[433.52; 546.86]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.02589e+01
Coefficient B			-6.73440e+03
Coefficient C			-9.63160e+01
Temperature range, min.			433.52
Temperature range, max.			546.86
Pvap	1.33	kPa	433.52	Calculated Property
Pvap	2.74	kPa	446.11	Calculated Property
Pvap	5.34	kPa	458.71	Calculated Property
Pvap	9.97	kPa	471.30	Calculated Property
Pvap	17.87	kPa	483.89	Calculated Property
Pvap	30.88	kPa	496.49	Calculated Property
Pvap	51.60	kPa	509.08	Calculated Property
Pvap	83.64	kPa	521.67	Calculated Property
Pvap	131.87	kPa	534.27	Calculated Property
Pvap	202.68	kPa	546.86	Calculated Property

Similar Compounds

Find more compounds similar to 1,9-Nonanediol.

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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