Chemical Properties of Cyclopentane, 1,3-dimethyl- (CAS 2453-00-1)

InChI

InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3

InChI Key

XAZKFISIRYLAEE-UHFFFAOYSA-N

Formula

C7H14

SMILES

CC1CCC(C)C1

Molecular Weight¹

98.19

CAS

2453-00-1

Other Names

• 1,3-Dimethylcyclopentane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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).
• 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	0.2598		Relay (1.0) Calculated Property
ΔcH°liquid	-4599.90	kJ/mol	NIST
ΔfG°	36.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.89	kJ/mol	Joback Calculated Property
ΔvapH°	34.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.56 ± 0.05	eV	NIST
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	98.630	ml/mol	McGowan Calculated Property
Pc	3291.59	kPa	Joback Calculated Property
Inp	[674.00; 698.00]
Inp	678.00		NIST
Inp	682.00		NIST
Inp	690.00		NIST
Inp	681.00		NIST
Inp	698.00		NIST
Inp	674.00		NIST
Tboil	[364.20; 366.00]	K
Tboil	364.33 ± 0.80	K	NIST
Tboil	364.20 ± 0.50	K	NIST
Tboil	366.00 ± 6.00	K	NIST
Tc	551.83	K	Relay (1.0) Calculated Property
Tfus	[132.60; 139.15]	K
Tfus	139.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	132.60 ± 0.50	K	NIST
Tfus	132.60 ± 2.00	K	NIST
Tfus	136.50 ± 3.00	K	NIST
Vc	0.364	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.02; 370.42]	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			-5.80200e+01
Coefficient B			7.74040e-01
Coefficient C			-4.29000e-04
Coefficient D			8.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.02	J/mol×K	273.00	Calculated Property
Cp,gas	165.82	J/mol×K	353.78	Calculated Property
Cp,gas	204.18	J/mol×K	434.56	Calculated Property
Cp,gas	238.35	J/mol×K	515.33	Calculated Property
Cp,gas	268.62	J/mol×K	596.11	Calculated Property
Cp,gas	295.23	J/mol×K	676.89	Calculated Property
Cp,gas	318.45	J/mol×K	757.67	Calculated Property
Cp,gas	338.54	J/mol×K	838.44	Calculated Property
Cp,gas	355.78	J/mol×K	919.22	Calculated Property
Cp,gas	370.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051679; 0.0002383]	Pa×s	[135.21; 394.68]	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			-9.94511e+00
Coefficient B			6.32770e+02
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.			135.21
Temperature range, max.			394.68
η	0.0051679	Pa×s	135.21	Calculated Property
η	0.0022705	Pa×s	164.04	Calculated Property
η	0.0012756	Pa×s	192.87	Calculated Property
η	0.0008326	Pa×s	221.70	Calculated Property
η	0.0005995	Pa×s	250.53	Calculated Property
η	0.0004620	Pa×s	279.36	Calculated Property
η	0.0003737	Pa×s	308.19	Calculated Property
η	0.0003135	Pa×s	337.02	Calculated Property
η	0.0002704	Pa×s	365.85	Calculated Property
η	0.0002383	Pa×s	394.68	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[258.58; 391.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.34613e+01
Coefficient B			-2.84463e+03
Coefficient C			-4.26480e+01
Temperature range, min.			258.58
Temperature range, max.			391.69
Pvap	1.33	kPa	258.58	Calculated Property
Pvap	3.10	kPa	273.37	Calculated Property
Pvap	6.52	kPa	288.16	Calculated Property
Pvap	12.59	kPa	302.95	Calculated Property
Pvap	22.66	kPa	317.74	Calculated Property
Pvap	38.41	kPa	332.53	Calculated Property
Pvap	61.84	kPa	347.32	Calculated Property
Pvap	95.29	kPa	362.11	Calculated Property
Pvap	141.30	kPa	376.90	Calculated Property
Pvap	202.65	kPa	391.69	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1,3-dimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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