Chemical Properties of Cyclopentane, 1-methyl-1-propyl- (CAS 16631-63-3)

InChI

InChI=1S/C9H18/c1-3-6-9(2)7-4-5-8-9/h3-8H2,1-2H3

InChI Key

HICYLMKNNFKEMK-UHFFFAOYSA-N

Formula

C9H18

SMILES

CCCC1(C)CCCC1

Molecular Weight¹

126.24

CAS

16631-63-3

Other Names

• 1-methyl-1-propylcyclopentane
• sec-Butylcyclopentane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2925		Relay (1.0) Calculated Property
ΔfusH°	6.70	kJ/mol	Joback Calculated Property
ΔvapH°	43.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[884.00; 899.00]
Inp	893.00		NIST
Inp	899.00		NIST
Inp	884.00		NIST
Inp	889.00		NIST
Inp	894.00		NIST
Inp	899.00		NIST
Inp	884.00		NIST
Inp	889.00		NIST
Tboil	409.43	K	Relay (1.0) Calculated Property
Tc	611.46	K	Relay (1.0) Calculated Property
Tfus	166.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.85; 350.08]	J/mol×K	[420.84; 620.53]
Cp,gas	256.85	J/mol×K	420.84	Joback Calculated Property
Cp,gas	275.03	J/mol×K	454.12	Joback Calculated Property
Cp,gas	292.03	J/mol×K	487.40	Joback Calculated Property
Cp,gas	307.94	J/mol×K	520.68	Joback Calculated Property
Cp,gas	322.85	J/mol×K	553.96	Joback Calculated Property
Cp,gas	336.87	J/mol×K	587.24	Joback Calculated Property
Cp,gas	350.08	J/mol×K	620.53	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[306.30; 452.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37214e+01
Coefficient B			-3.28331e+03
Coefficient C			-6.18900e+01
Temperature range, min.			306.30
Temperature range, max.			452.30
Pvap	1.33	kPa	306.30	Calculated Property
Pvap	3.08	kPa	322.52	Calculated Property
Pvap	6.44	kPa	338.74	Calculated Property
Pvap	12.41	kPa	354.97	Calculated Property
Pvap	22.33	kPa	371.19	Calculated Property
Pvap	37.90	kPa	387.41	Calculated Property
Pvap	61.18	kPa	403.63	Calculated Property
Pvap	94.56	kPa	419.86	Calculated Property
Pvap	140.74	kPa	436.08	Calculated Property
Pvap	202.65	kPa	452.30	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1-methyl-1-propyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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