Chemical Properties of Cyclohexane, (2-methylpropyl)- (CAS 1678-98-4)

InChI

InChI=1S/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3

InChI Key

FFROMNOQCNVNIH-UHFFFAOYSA-N

Formula

C10H20

SMILES

CC(C)CC1CCCCC1

Molecular Weight¹

140.27

CAS

1678-98-4

Other Names

• (2-METHYLPROPYL)CYCLOHEXANE
• (2-Methyl-propyl)-cyclohexane
• 2-methylpropylcyclohexane
• Cyclohexane, isobutyl-
• I-BUTYLCYCLOHEXANE
• Isobutylcyclohexane
• cyclohexane, 2-methylpropyl-

• 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).
• 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).
• ρ_l : Liquid 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3190		KDB
ΔfG°	55.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-200.69	kJ/mol	Joback Calculated Property
ΔfusH°	9.97	kJ/mol	Joback Calculated Property
ΔvapH°	[47.50; 47.55]	kJ/mol
ΔvapH°	47.55	kJ/mol	NIST
ΔvapH°	47.50	kJ/mol	NIST
IE	9.54 ± 0.03	eV	NIST
log10WS	-3.42		Crippen Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	140.900	ml/mol	McGowan Calculated Property
Pc	3120.00	kPa	KDB
Inp	[983.00; 1019.10]
Inp	1008.90		NIST
Inp	1019.10		NIST
Inp	992.00		NIST
Inp	1005.00		NIST
Inp	983.00		NIST
Inp	1005.00		NIST
Inp	998.00		NIST
Inp	986.45		NIST
Inp	988.00		NIST
Inp	986.45		NIST
I	[1038.00; 1058.00]
I	1058.00		NIST
I	1038.00		NIST
I	1043.00		NIST
I	1048.00		NIST
I	1058.00		NIST
I	1058.00		NIST
Tboil	444.50	K	KDB
Tc	[642.10; 659.00]	K
Tc	659.00	K	KDB
Tc	642.10	K	Gas-Liq...
Tfus	194.84	K	Joback Calculated Property
Vc	0.522	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.96; 405.89]	J/mol×K	[447.31; 648.75]
Cp,gas	299.96	J/mol×K	447.31	Joback Calculated Property
Cp,gas	319.98	J/mol×K	480.88	Joback Calculated Property
Cp,gas	339.02	J/mol×K	514.46	Joback Calculated Property
Cp,gas	357.11	J/mol×K	548.03	Joback Calculated Property
Cp,gas	374.26	J/mol×K	581.60	Joback Calculated Property
Cp,gas	390.52	J/mol×K	615.17	Joback Calculated Property
Cp,gas	405.89	J/mol×K	648.75	Joback Calculated Property
η	[0.0002520; 0.0151535]	Pa×s	[194.84; 447.31]
η	0.0151535	Pa×s	194.84	Joback Calculated Property
η	0.0041753	Pa×s	236.92	Joback Calculated Property
η	0.0016972	Pa×s	279.00	Joback Calculated Property
η	0.0008734	Pa×s	321.07	Joback Calculated Property
η	0.0005243	Pa×s	363.15	Joback Calculated Property
η	0.0003499	Pa×s	405.23	Joback Calculated Property
η	0.0002520	Pa×s	447.31	Joback Calculated Property
ΔvapH	43.50	kJ/mol	400.50	NIST
ρl	795.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[322.25; 476.60]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.31070e+01
Coefficient B			-3.07023e+03
Coefficient C			-8.27550e+01
Temperature range, min.			322.25
Temperature range, max.			476.60
Pvap	1.33	kPa	322.25	Calculated Property
Pvap	3.14	kPa	339.40	Calculated Property
Pvap	6.64	kPa	356.55	Calculated Property
Pvap	12.86	kPa	373.70	Calculated Property
Pvap	23.15	kPa	390.85	Calculated Property
Pvap	39.15	kPa	408.00	Calculated Property
Pvap	62.81	kPa	425.15	Calculated Property
Pvap	96.33	kPa	442.30	Calculated Property
Pvap	142.11	kPa	459.45	Calculated Property
Pvap	202.65	kPa	476.60	Calculated Property
Pvap	[6.42; 3092.99]	kPa	[358.00; 659.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.00618e+02
Coefficient B			-9.20294e+03
Coefficient C			-1.25726e+01
Coefficient D			6.88404e-06
Temperature range, min.			358.00
Temperature range, max.			659.00
Pvap	6.42	kPa	358.00	Calculated Property
Pvap	22.33	kPa	391.44	Calculated Property
Pvap	61.16	kPa	424.89	Calculated Property
Pvap	140.43	kPa	458.33	Calculated Property
Pvap	282.45	kPa	491.78	Calculated Property
Pvap	513.92	kPa	525.22	Calculated Property
Pvap	866.48	kPa	558.67	Calculated Property
Pvap	1378.64	kPa	592.11	Calculated Property
Pvap	2099.29	kPa	625.56	Calculated Property
Pvap	3092.99	kPa	659.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, (2-methylpropyl)-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• 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.