Chemical Properties of Cyclohexane, (1-methylpropyl)- (CAS 7058-01-7)

InChI

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

InChI Key

QTYARKOMFKRPSY-UHFFFAOYSA-N

Formula

C10H20

SMILES

CCC(C)C1CCCCC1

Molecular Weight¹

140.27

CAS

7058-01-7

Other Names

• (1-METHYLPROPYL)CYCLOHEXANE
• 2-CYCLOHEXYLBUTANE
• Cyclohexane, sec-butyl-
• SEC-BUTYLCYCLOHEXANE
• s-Butylcyclohexane

• 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	0.2640		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°	37.90	kJ/mol	Joback Calculated Property
IE	[9.23; 9.51]	eV
IE	9.23	eV	NIST
IE	9.51 ± 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	2670.00	kPa	KDB
Inp	[984.00; 1049.00]
Inp	1014.00		NIST
Inp	1023.35		NIST
Inp	1032.00		NIST
Inp	1049.00		NIST
Inp	1023.35		NIST
Inp	1014.00		NIST
Inp	Outlier 984.00		NIST
Inp	1022.00		NIST
Inp	1005.00		NIST
Inp	1019.00		NIST
Inp	1022.00		NIST
Inp	1032.00		NIST
Inp	1005.00		NIST
I	[1096.00; 1120.00]
I	1120.00		NIST
I	1120.00		NIST
I	1096.00		NIST
I	1102.00		NIST
I	1108.00		NIST
I	1120.00		NIST
Tboil	[450.30; 452.90]	K
Tboil	452.50	K	KDB
Tboil	452.50	K	NIST
Tboil	452.48 ± 0.03	K	NIST
Tboil	452.90 ± 0.50	K	NIST
Tboil	452.20 ± 2.00	K	NIST
Tboil	Outlier 450.30 ± 0.50	K	NIST
Tc	669.00	K	KDB
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	44.10	kJ/mol	412.00	NIST
ρl	813.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[334.46; 481.80]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44336e+01
Coefficient B			-3.78447e+03
Coefficient C			-6.69310e+01
Temperature range, min.			334.46
Temperature range, max.			481.80
Pvap	1.33	kPa	334.46	Calculated Property
Pvap	3.01	kPa	350.83	Calculated Property
Pvap	6.23	kPa	367.20	Calculated Property
Pvap	11.96	kPa	383.57	Calculated Property
Pvap	21.53	kPa	399.94	Calculated Property
Pvap	36.66	kPa	416.32	Calculated Property
Pvap	59.54	kPa	432.69	Calculated Property
Pvap	92.75	kPa	449.06	Calculated Property
Pvap	139.32	kPa	465.43	Calculated Property
Pvap	202.66	kPa	481.80	Calculated Property
Pvap	[6.24; 2473.62]	kPa	[364.15; 663.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.95636e+01
Coefficient B			-9.44578e+03
Coefficient C			-1.22948e+01
Coefficient D			5.39976e-06
Temperature range, min.			364.15
Temperature range, max.			663.00
Pvap	6.24	kPa	364.15	Calculated Property
Pvap	21.37	kPa	397.36	Calculated Property
Pvap	57.81	kPa	430.56	Calculated Property
Pvap	130.95	kPa	463.77	Calculated Property
Pvap	259.24	kPa	496.97	Calculated Property
Pvap	462.72	kPa	530.18	Calculated Property
Pvap	762.34	kPa	563.38	Calculated Property
Pvap	1180.24	kPa	596.59	Calculated Property
Pvap	1740.97	kPa	629.79	Calculated Property
Pvap	2473.62	kPa	663.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, (1-methylpropyl)-.

Sources

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

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