Chemical Properties of 2-Nonanol (CAS 628-99-9)

InChI

InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3

InChI Key

NGDNVOAEIVQRFH-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCCCCC(C)O

Molecular Weight¹

144.25

CAS

628-99-9

Other Names

• 1-Methyl-1-octanol
• NONAN-2-OL
• Nonanol-(2)
• n-Nonan-2-ol

• 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_fusH° : Enthalpy of fusion 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).
• 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).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
Cp,liquid	356.31	J/mol×K	Vapour ...
ΔfG°	-114.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.60	kJ/mol	Joback Calculated Property
ΔfusH°	19.63	kJ/mol	Joback Calculated Property
ΔvapH°	72.90 ± 0.60	kJ/mol	NIST
log10WS	[-2.74; -2.74]
log10WS	-2.74		Aq. Sol...
log10WS	-2.74		Estimat...
logPoct/wat	2.728		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	[2530.00; 2530.00]	kPa
Pc	2530.00	kPa	KDB
Pc	2530.00 ± 50.00	kPa	NIST
Pc	2530.00 ± 20.00	kPa	NIST
Pc	2530.00 ± 20.00	kPa	NIST
ρc	[251.00; 251.00]	kg/m3
ρc	251.00 ± 7.21	kg/m3	NIST
ρc	251.00 ± 5.77	kg/m3	NIST
Inp	[1072.00; 1120.00]
Inp	1091.00		NIST
Inp	1087.00		NIST
Inp	1089.00		NIST
Inp	1092.00		NIST
Inp	1108.70		NIST
Inp	1098.00		NIST
Inp	1084.00		NIST
Inp	1100.00		NIST
Inp	1084.00		NIST
Inp	1084.00		NIST
Inp	1087.00		NIST
Inp	1087.00		NIST
Inp	1085.00		NIST
Inp	1085.00		NIST
Inp	1085.00		NIST
Inp	1102.00		NIST
Inp	1089.00		NIST
Inp	1101.00		NIST
Inp	1097.00		NIST
Inp	1114.00		NIST
Inp	1100.00		NIST
Inp	1092.00		NIST
Inp	1092.00		NIST
Inp	1098.00		NIST
Inp	1076.00		NIST
Inp	1089.00		NIST
Inp	Outlier 1072.00		NIST
Inp	1098.00		NIST
Inp	1106.00		NIST
Inp	1098.00		NIST
Inp	1110.00		NIST
Inp	Outlier 1120.00		NIST
Inp	1103.00		NIST
Inp	1103.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1089.00		NIST
Inp	1084.00		NIST
Inp	Outlier 1120.00		NIST
Inp	1098.00		NIST
Inp	1087.00		NIST
Inp	1092.00		NIST
Inp	1085.00		NIST
Inp	1103.00		NIST
Inp	1089.00		NIST
I	[1483.00; 1547.00]
I	1488.00		NIST
I	1489.00		NIST
I	1508.00		NIST
I	1511.00		NIST
I	1547.00		NIST
I	1524.00		NIST
I	1528.00		NIST
I	1521.00		NIST
I	1545.00		NIST
I	1532.00		NIST
I	1505.00		NIST
I	1533.00		NIST
I	1534.00		NIST
I	1532.00		NIST
I	1514.00		NIST
I	Outlier 1483.00		NIST
I	1520.00		NIST
I	1521.00		NIST
I	1524.00		NIST
I	1485.00		NIST
I	1528.00		NIST
I	1528.00		NIST
I	1509.00		NIST
I	1535.00		NIST
I	1515.00		NIST
I	1535.00		NIST
I	1535.00		NIST
I	1535.00		NIST
I	1537.00		NIST
I	1508.00		NIST
I	1530.00		NIST
I	1510.00		NIST
I	1499.00		NIST
I	1525.00		NIST
I	1518.00		NIST
I	1538.00		NIST
I	1522.00		NIST
I	1530.00		NIST
I	Outlier 1484.00		NIST
I	1519.00		NIST
I	1490.00		NIST
I	1528.00		NIST
I	1528.00		NIST
I	1522.00		NIST
I	1516.00		NIST
I	1521.00		NIST
I	1499.00		NIST
I	1518.00		NIST
I	1521.00		NIST
I	Outlier 1484.00		NIST
I	1521.00		NIST
I	1509.00		NIST
I	1488.00		NIST
I	1508.00		NIST
I	1518.00		NIST
I	1519.00		NIST
I	1528.00		NIST
I	1499.00		NIST
I	1509.00		NIST
Tboil	[465.65; 473.15]	K
Tboil	466.70	K	NIST
Tboil	473.15 ± 5.00	K	NIST
Tboil	471.50 ± 0.60	K	NIST
Tboil	471.35 ± 1.00	K	NIST
Tboil	466.15 ± 3.00	K	NIST
Tboil	465.65 ± 5.00	K	NIST
Tboil	468.65 ± 3.00	K	NIST
Tboil	470.65 ± 3.00	K	NIST
Tboil	466.65 ± 3.00	K	NIST
Tboil	466.65 ± 5.00	K	NIST
Tboil	466.65 ± 3.00	K	NIST
Tc	[649.10; 650.10]	K
Tc	649.60	K	KDB
Tc	650.00 ± 1.00	K	NIST
Tc	650.10 ± 0.60	K	NIST
Tc	650.10 ± 0.60	K	NIST
Tc	649.50	K	NIST
Tc	649.10 ± 0.30	K	NIST
Tfus	237.98	K	Aq. Sol...
Vc	[0.575; 0.575]	m3/kmol
Vc	0.575	m3/kmol	KDB
Vc	0.575	m3/kmol	NIST
Zc	0.2693430		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.58; 403.87]	J/mol×K	[497.06; 659.14]
Cp,gas	334.58	J/mol×K	497.06	Joback Calculated Property
Cp,gas	347.30	J/mol×K	524.07	Joback Calculated Property
Cp,gas	359.54	J/mol×K	551.09	Joback Calculated Property
Cp,gas	371.30	J/mol×K	578.10	Joback Calculated Property
Cp,gas	382.60	J/mol×K	605.11	Joback Calculated Property
Cp,gas	393.45	J/mol×K	632.13	Joback Calculated Property
Cp,gas	403.87	J/mol×K	659.14	Joback Calculated Property
η	[0.0001409; 0.0878509]	Pa×s	[237.01; 497.06]
η	0.0878509	Pa×s	237.01	Joback Calculated Property
η	0.0131188	Pa×s	280.35	Joback Calculated Property
η	0.0032599	Pa×s	323.69	Joback Calculated Property
η	0.0011254	Pa×s	367.03	Joback Calculated Property
η	0.0004864	Pa×s	410.38	Joback Calculated Property
η	0.0002468	Pa×s	453.72	Joback Calculated Property
η	0.0001409	Pa×s	497.06	Joback Calculated Property
ΔvapH	[55.50; 79.60]	kJ/mol	[303.00; 417.50]
ΔvapH	79.60	kJ/mol	303.00	NIST
ΔvapH	55.50	kJ/mol	417.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[364.09; 493.39]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64188e+01
Coefficient B			-4.61124e+03
Coefficient C			-7.82320e+01
Temperature range, min.			364.09
Temperature range, max.			493.39
Pvap	1.33	kPa	364.09	Calculated Property
Pvap	2.88	kPa	378.46	Calculated Property
Pvap	5.82	kPa	392.82	Calculated Property
Pvap	11.03	kPa	407.19	Calculated Property
Pvap	19.84	kPa	421.56	Calculated Property
Pvap	34.02	kPa	435.92	Calculated Property
Pvap	55.97	kPa	450.29	Calculated Property
Pvap	88.74	kPa	464.66	Calculated Property
Pvap	136.11	kPa	479.02	Calculated Property
Pvap	202.67	kPa	493.39	Calculated Property
Pvap	[5.24e-06; 2379.40]	kPa	[238.51; 623.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.35307e+02
Coefficient B			-1.31543e+04
Coefficient C			-1.69302e+01
Coefficient D			6.49313e-06
Temperature range, min.			238.51
Temperature range, max.			623.00
Pvap	5.24e-06	kPa	238.51	Calculated Property
Pvap	1.62e-03	kPa	281.23	Calculated Property
Pvap	0.08	kPa	323.95	Calculated Property
Pvap	1.41	kPa	366.67	Calculated Property
Pvap	11.41	kPa	409.39	Calculated Property
Pvap	56.21	kPa	452.12	Calculated Property
Pvap	195.40	kPa	494.84	Calculated Property
Pvap	529.58	kPa	537.56	Calculated Property
Pvap	1198.74	kPa	580.28	Calculated Property
Pvap	2379.40	kPa	623.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonanol.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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