Chemical Properties of Cyclopentane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«beta»)- (CAS 15890-40-1)

InChI

InChI=1S/C8H16/c1-6-4-5-7(2)8(6)3/h6-8H,4-5H2,1-3H3/t6-,7-/m1/s1

InChI Key

VCWNHOPGKQCXIQ-RNFRBKRXSA-N

Formula

C8H16

SMILES

CC1CCC(C)C1C

Molecular Weight¹

112.21

CAS

15890-40-1

Other Names

• 1,2,3-Trimethylcyclopentane, cis, trans
• 1,2,3-Trimethylcyclopentane, trans, cis
• 1,trans-2,cis-3-Trimethylcyclopentane
• 1-cis-2, trans-3-Trimethylcyclopentane
• Cyclopentane, 1,2,3-trimethyl-, cis,trans
• Cyclopentane, 1,2,3-trimethyl-, cis-1,2,trans-1,3-
• Cyclopentane, 1,2,3-trimethyl-, trans, cis
• cis 1,2-trans-3-trimethylcyclopentane
• trans,cis-1,2,3-Trimethylcyclopentane

• 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).
• 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
ΔfG°	37.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-188.65	kJ/mol	Joback Calculated Property
ΔfusH°	12.55	kJ/mol	Joback Calculated Property
ΔvapH°	38.10	kJ/mol	NIST
log10WS	-2.34		Crippen Calculated Property
logPoct/wat	2.688		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2853.57	kPa	Joback Calculated Property
Inp	[736.00; 798.00]
Inp	738.00		NIST
Inp	750.80		NIST
Inp	744.00		NIST
Inp	748.00		NIST
Inp	753.00		NIST
Inp	777.90		NIST
Inp	782.70		NIST
Inp	747.00		NIST
Inp	748.00		NIST
Inp	750.00		NIST
Inp	745.30		NIST
Inp	747.10		NIST
Inp	748.90		NIST
Inp	750.90		NIST
Inp	747.80		NIST
Inp	778.80		NIST
Inp	742.00		NIST
Inp	744.00		NIST
Inp	746.00		NIST
Inp	748.00		NIST
Inp	750.00		NIST
Inp	752.00		NIST
Inp	779.00		NIST
Inp	779.20		NIST
Inp	749.40		NIST
Inp	749.60		NIST
Inp	747.00		NIST
Inp	747.00		NIST
Inp	747.00		NIST
Inp	783.10		NIST
Inp	738.40		NIST
Inp	780.20		NIST
Inp	772.00		NIST
Inp	775.00		NIST
Inp	776.00		NIST
Inp	779.00		NIST
Inp	782.00		NIST
Inp	775.00		NIST
Inp	Outlier 798.00		NIST
Inp	774.00		NIST
Inp	779.00		NIST
Inp	783.00		NIST
Inp	788.00		NIST
Inp	772.70		NIST
Inp	775.00		NIST
Inp	744.90		NIST
Inp	742.04		NIST
Inp	774.00		NIST
Inp	789.00		NIST
Inp	776.00		NIST
Inp	783.00		NIST
Inp	756.00		NIST
Inp	746.00		NIST
Inp	751.00		NIST
Inp	743.00		NIST
Inp	780.00		NIST
Inp	736.00		NIST
Inp	747.20		NIST
Inp	748.10		NIST
Inp	749.50		NIST
Inp	750.70		NIST
Inp	751.60		NIST
Inp	752.70		NIST
Inp	778.20		NIST
Inp	779.60		NIST
Inp	781.90		NIST
Inp	783.70		NIST
Inp	785.20		NIST
Inp	786.50		NIST
Inp	778.00		NIST
Inp	775.00		NIST
Inp	782.00		NIST
Inp	783.00		NIST
Inp	785.00		NIST
Inp	786.00		NIST
Inp	747.00		NIST
Inp	748.00		NIST
Inp	749.00		NIST
Inp	750.00		NIST
Inp	751.00		NIST
Inp	752.00		NIST
Inp	772.00		NIST
Inp	772.00		NIST
Inp	738.00		NIST
Inp	777.90		NIST
Inp	745.30		NIST
Inp	778.80		NIST
Inp	750.00		NIST
Inp	749.60		NIST
Inp	738.40		NIST
Inp	779.00		NIST
Inp	747.20		NIST
Inp	752.70		NIST
Inp	785.20		NIST
Inp	783.00		NIST
Inp	749.00		NIST
Inp	789.00		NIST
Inp	751.00		NIST
Inp	775.00		NIST
Inp	772.70		NIST
Tboil	[390.35; 391.30]	K
Tboil	390.70 ± 2.00	K	NIST
Tboil	391.30 ± 0.70	K	NIST
Tboil	390.35 ± 0.30	K	NIST
Tboil	391.30 ± 2.00	K	NIST
Tc	579.97	K	Joback Calculated Property
Tfus	160.25 ± 0.20	K	NIST
Vc	0.422	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.62; 304.79]	J/mol×K	[388.38; 579.97]
Cp,gas	213.62	J/mol×K	388.38	Joback Calculated Property
Cp,gas	230.52	J/mol×K	420.31	Joback Calculated Property
Cp,gas	246.72	J/mol×K	452.24	Joback Calculated Property
Cp,gas	262.24	J/mol×K	484.17	Joback Calculated Property
Cp,gas	277.08	J/mol×K	516.11	Joback Calculated Property
Cp,gas	291.26	J/mol×K	548.04	Joback Calculated Property
Cp,gas	304.79	J/mol×K	579.97	Joback Calculated Property
η	[0.0002619; 0.0010560]	Pa×s	[182.34; 388.38]
η	0.0010560	Pa×s	182.34	Joback Calculated Property
η	0.0006962	Pa×s	216.68	Joback Calculated Property
η	0.0005145	Pa×s	251.02	Joback Calculated Property
η	0.0004089	Pa×s	285.36	Joback Calculated Property
η	0.0003414	Pa×s	319.70	Joback Calculated Property
η	0.0002952	Pa×s	354.04	Joback Calculated Property
η	0.0002619	Pa×s	388.38	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[276.93; 431.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.26924e+01
Coefficient B			-2.80821e+03
Coefficient C			-5.05480e+01
Temperature range, min.			276.93
Temperature range, max.			431.02
Pvap	1.33	kPa	276.93	Calculated Property
Pvap	3.19	kPa	294.05	Calculated Property
Pvap	6.80	kPa	311.17	Calculated Property
Pvap	13.22	kPa	328.29	Calculated Property
Pvap	23.78	kPa	345.41	Calculated Property
Pvap	40.10	kPa	362.54	Calculated Property
Pvap	64.05	kPa	379.66	Calculated Property
Pvap	97.67	kPa	396.78	Calculated Property
Pvap	143.13	kPa	413.90	Calculated Property
Pvap	202.66	kPa	431.02	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«beta»)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.