Chemical Properties of 1-Nonanol, 4,8-dimethyl- (CAS 33933-80-1)

InChI

InChI=1S/C11H24O/c1-10(2)6-4-7-11(3)8-5-9-12/h10-12H,4-9H2,1-3H3

InChI Key

ASDSWUHLJCTXPE-UHFFFAOYSA-N

Formula

C11H24O

SMILES

CC(C)CCCC(C)CCCO

Molecular Weight¹

172.31

CAS

33933-80-1

Other Names

• 4,8-Dimethyl-1-nonanol
• 4,8-Dimethylnonanol

• 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).
• 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).
• 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

Property	Value	Unit	Source
ω	0.7298		Relay (1.0) Calculated Property
ΔfG°	-99.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.29	kJ/mol	Joback Calculated Property
ΔvapH°	80.49	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.221		Crippen Calculated Property
McVol	171.720	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[1229.00; 1230.00]
Inp	1229.00		NIST
Inp	1230.00		NIST
Inp	1229.00		NIST
Tboil	511.72	K	Relay (1.0) Calculated Property
Tc	693.53	K	Relay (1.0) Calculated Property
Tfus	233.38	K	Relay (1.0) Calculated Property
Vc	0.620	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.71; 606.58]	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			-5.18400e+00
Coefficient B			1.09466e+00
Coefficient C			-6.11400e-04
Coefficient D			1.28500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.71	J/mol×K	273.00	Calculated Property
Cp,gas	311.25	J/mol×K	353.78	Calculated Property
Cp,gas	365.60	J/mol×K	434.56	Calculated Property
Cp,gas	414.15	J/mol×K	515.33	Calculated Property
Cp,gas	457.31	J/mol×K	596.11	Calculated Property
Cp,gas	495.50	J/mol×K	676.89	Calculated Property
Cp,gas	529.11	J/mol×K	757.67	Calculated Property
Cp,gas	558.56	J/mol×K	838.44	Calculated Property
Cp,gas	584.25	J/mol×K	919.22	Calculated Property
Cp,gas	606.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1063589; 0.0001615]	Pa×s	[244.55; 494.25]	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			-1.50867e+01
Coefficient B			3.14143e+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.			244.55
Temperature range, max.			494.25
η	0.1063589	Pa×s	244.55	Calculated Property
η	0.0287303	Pa×s	272.29	Calculated Property
η	0.0098862	Pa×s	300.04	Calculated Property
η	0.0040752	Pa×s	327.78	Calculated Property
η	0.0019291	Pa×s	355.53	Calculated Property
η	0.0010176	Pa×s	383.27	Calculated Property
η	0.0005852	Pa×s	411.02	Calculated Property
η	0.0003609	Pa×s	438.76	Calculated Property
η	0.0002358	Pa×s	466.50	Calculated Property
η	0.0001615	Pa×s	494.25	Calculated Property

Similar Compounds

Find more compounds similar to 1-Nonanol, 4,8-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.