Chemical Properties of Docosane, 9-octyl- (CAS 55319-83-0)

InChI

InChI=1S/C30H62/c1-4-7-10-13-16-17-18-19-20-23-26-29-30(27-24-21-14-11-8-5-2)28-25-22-15-12-9-6-3/h30H,4-29H2,1-3H3

InChI Key

RZCWYGUJADCQPF-UHFFFAOYSA-N

Formula

C30H62

SMILES

CCCCCCCCCCCCCC(CCCCCCCC)CCCCCCCC

Molecular Weight¹

422.81

CAS

55319-83-0

Other Names

• 9-Octyldocosane
• 9-n-Octyldocosane

• 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).
• 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).
• 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
ΔfG°	199.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-667.81	kJ/mol	Joback Calculated Property
ΔfusH°	69.93	kJ/mol	Joback Calculated Property
ΔvapH°	81.99	kJ/mol	Joback Calculated Property
log10WS	-12.14		Crippen Calculated Property
logPoct/wat	11.805		Crippen Calculated Property
McVol	433.560	ml/mol	McGowan Calculated Property
Pc	597.80	kPa	Joback Calculated Property
Tboil	885.36	K	Joback Calculated Property
Tc	1090.03	K	Joback Calculated Property
Tfus	[281.80; 281.80]	K
Tfus	281.80 ± 1.00	K	NIST
Tfus	281.80 ± 1.50	K	NIST
Vc	1.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1482.38; 1623.76]	J/mol×K	[885.36; 1090.03]
Cp,gas	1482.38	J/mol×K	885.36	Joback Calculated Property
Cp,gas	1509.50	J/mol×K	919.47	Joback Calculated Property
Cp,gas	1535.09	J/mol×K	953.58	Joback Calculated Property
Cp,gas	1559.23	J/mol×K	987.69	Joback Calculated Property
Cp,gas	1582.00	J/mol×K	1021.80	Joback Calculated Property
Cp,gas	1603.48	J/mol×K	1055.92	Joback Calculated Property
Cp,gas	1623.76	J/mol×K	1090.03	Joback Calculated Property
η	[0.0000222; 0.0013422]	Pa×s	[412.86; 885.36]
η	0.0013422	Pa×s	412.86	Joback Calculated Property
η	0.0003919	Pa×s	491.61	Joback Calculated Property
η	0.0001607	Pa×s	570.36	Joback Calculated Property
η	0.0000818	Pa×s	649.11	Joback Calculated Property
η	0.0000482	Pa×s	727.86	Joback Calculated Property
η	0.0000315	Pa×s	806.61	Joback Calculated Property
η	0.0000222	Pa×s	885.36	Joback Calculated Property
ΔvapH	109.30	kJ/mol	553.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[564.00; 744.57]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.69944e+01
Coefficient B			-7.01535e+03
Coefficient C			-1.44090e+02
Temperature range, min.			564.00
Temperature range, max.			744.57
Pvap	1.33	kPa	564.00	Calculated Property
Pvap	2.86	kPa	584.06	Calculated Property
Pvap	5.72	kPa	604.13	Calculated Property
Pvap	10.83	kPa	624.19	Calculated Property
Pvap	19.46	kPa	644.25	Calculated Property
Pvap	33.42	kPa	664.32	Calculated Property
Pvap	55.14	kPa	684.38	Calculated Property
Pvap	87.78	kPa	704.44	Calculated Property
Pvap	135.32	kPa	724.51	Calculated Property
Pvap	202.65	kPa	744.57	Calculated Property

Similar Compounds

Find more compounds similar to Docosane, 9-octyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.