Chemical Properties of Cyclopentane, 1,3-dimethyl-, trans- (CAS 1759-58-6)

InChI

InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1

InChI Key

XAZKFISIRYLAEE-BQBZGAKWSA-N

Formula

C7H14

SMILES

CC1CCC(C)C1

Molecular Weight¹

98.19

CAS

1759-58-6

Other Names

• 1,3-Dimethylcyclopentane, trans
• 1,TRANS-3-DIMETHYLCYCLOPENTANE
• TRANS-1,3-DIMETHYLCYCLOPENTANE
• t-1,3-Dimethylcyclopentane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4585.20 ± 1.10	kJ/mol	NIST
ΔfG°	36.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.90 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-170.20 ± 1.20	kJ/mol	NIST
ΔfusH°	8.89	kJ/mol	Joback Calculated Property
ΔvapH°	[34.30; 34.50]	kJ/mol
ΔvapH°	34.50	kJ/mol	NIST
ΔvapH°	34.30	kJ/mol	NIST
log10WS	-2.16		Crippen 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	[676.00; 698.00]
Inp	678.00		NIST
Inp	691.30		NIST
Inp	682.00		NIST
Inp	684.00		NIST
Inp	687.00		NIST
Inp	692.00		NIST
Inp	686.30		NIST
Inp	688.70		NIST
Inp	689.10		NIST
Inp	692.00		NIST
Inp	688.00		NIST
Inp	689.00		NIST
Inp	689.00		NIST
Inp	684.50		NIST
Inp	686.20		NIST
Inp	687.90		NIST
Inp	689.70		NIST
Inp	680.00		NIST
Inp	684.00		NIST
Inp	687.00		NIST
Inp	689.00		NIST
Inp	690.00		NIST
Inp	690.00		NIST
Inp	688.30		NIST
Inp	688.60		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	692.90		NIST
Inp	691.60		NIST
Inp	691.60		NIST
Inp	689.00		NIST
Inp	Outlier 697.00		NIST
Inp	689.00		NIST
Inp	692.00		NIST
Inp	687.00		NIST
Inp	690.00		NIST
Inp	686.00		NIST
Inp	688.00		NIST
Inp	689.00		NIST
Inp	691.00		NIST
Inp	693.00		NIST
Inp	687.50		NIST
Inp	686.00		NIST
Inp	Outlier 698.00		NIST
Inp	683.00		NIST
Inp	688.00		NIST
Inp	690.00		NIST
Inp	694.00		NIST
Inp	690.00		NIST
Inp	696.00		NIST
Inp	684.30		NIST
Inp	685.00		NIST
Inp	683.80		NIST
Inp	678.37		NIST
Inp	679.11		NIST
Inp	684.80		NIST
Inp	683.00		NIST
Inp	680.88		NIST
Inp	680.95		NIST
Inp	678.00		NIST
Inp	680.73		NIST
Inp	680.98		NIST
Inp	681.00		NIST
Inp	680.66		NIST
Inp	687.00		NIST
Inp	686.00		NIST
Inp	690.00		NIST
Inp	688.00		NIST
Inp	681.00		NIST
Inp	678.00		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	684.00		NIST
Inp	Outlier 676.00		NIST
Inp	690.00		NIST
Inp	680.66		NIST
Inp	684.30		NIST
Inp	696.00		NIST
Inp	687.00		NIST
S°liquid	271.54	J/mol×K	NIST
Tboil	363.92	K	KDB
Tc	563.52	K	Joback Calculated Property
Tfus	[128.95; 139.47]	K
Tfus	139.46	K	KDB
Tfus	138.15 ± 0.50	K	NIST
Tfus	139.18 ± 0.20	K	NIST
Tfus	130.25 ± 10.00	K	NIST
Tfus	130.45 ± 3.00	K	NIST
Tfus	128.95 ± 4.00	K	NIST
Tfus	139.17 ± 0.03	K	NIST
Tfus	139.16 ± 0.06	K	NIST
Tfus	139.25 ± 0.05	K	NIST
Tfus	139.47 ± 0.40	K	NIST
Ttriple	[139.26; 139.35]	K
Ttriple	139.35 ± 0.05	K	NIST
Ttriple	139.26 ± 0.03	K	NIST
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.95; 256.86]	J/mol×K	[370.17; 563.52]
Cp,gas	173.95	J/mol×K	370.17	Joback Calculated Property
Cp,gas	189.42	J/mol×K	402.40	Joback Calculated Property
Cp,gas	204.20	J/mol×K	434.62	Joback Calculated Property
Cp,gas	218.32	J/mol×K	466.85	Joback Calculated Property
Cp,gas	231.80	J/mol×K	499.07	Joback Calculated Property
Cp,gas	244.64	J/mol×K	531.30	Joback Calculated Property
Cp,gas	256.86	J/mol×K	563.52	Joback Calculated Property
Cp,liquid	190.87	J/mol×K	304.03	NIST
η	[0.0002650; 0.0017720]	Pa×s	[175.31; 370.17]
η	0.0017720	Pa×s	175.31	Joback Calculated Property
η	0.0010080	Pa×s	207.79	Joback Calculated Property
η	0.0006678	Pa×s	240.26	Joback Calculated Property
η	0.0004881	Pa×s	272.74	Joback Calculated Property
η	0.0003813	Pa×s	305.22	Joback Calculated Property
η	0.0003124	Pa×s	337.69	Joback Calculated Property
η	0.0002650	Pa×s	370.17	Joback Calculated Property
ΔfusH	[7.40; 7.41]	kJ/mol	[139.48; 139.50]
ΔfusH	7.40	kJ/mol	139.48	NIST
ΔfusH	7.41	kJ/mol	139.50	NIST
ΔfusH	7.40	kJ/mol	139.50	NIST
ΔvapH	[34.00; 34.20]	kJ/mol	[328.00; 331.00]
ΔvapH	34.20	kJ/mol	328.00	NIST
ΔvapH	34.00	kJ/mol	331.00	NIST
ΔfusS	53.04	J/mol×K	139.48	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[263.68; 388.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43537e+01
Coefficient B			-3.17213e+03
Coefficient C			-3.81640e+01
Temperature range, min.			263.68
Temperature range, max.			388.98
Pvap	1.33	kPa	263.68	Calculated Property
Pvap	3.02	kPa	277.60	Calculated Property
Pvap	6.26	kPa	291.52	Calculated Property
Pvap	12.01	kPa	305.45	Calculated Property
Pvap	21.61	kPa	319.37	Calculated Property
Pvap	36.79	kPa	333.29	Calculated Property
Pvap	59.71	kPa	347.21	Calculated Property
Pvap	92.94	kPa	361.14	Calculated Property
Pvap	139.47	kPa	375.06	Calculated Property
Pvap	202.66	kPa	388.98	Calculated Property
Pvap	[4.46e-08; 3465.01]	kPa	[139.18; 553.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.09890e+01
Coefficient B			-7.10570e+03
Coefficient C			-1.15588e+01
Coefficient D			9.84000e-06
Temperature range, min.			139.18
Temperature range, max.			553.00
Pvap	4.46e-08	kPa	139.18	Calculated Property
Pvap	6.11e-04	kPa	185.16	Calculated Property
Pvap	0.12	kPa	231.14	Calculated Property
Pvap	2.98	kPa	277.12	Calculated Property
Pvap	25.47	kPa	323.10	Calculated Property
Pvap	115.86	kPa	369.08	Calculated Property
Pvap	358.82	kPa	415.06	Calculated Property
Pvap	873.20	kPa	461.04	Calculated Property
Pvap	1824.39	kPa	507.02	Calculated Property
Pvap	3465.01	kPa	553.00	Calculated Property

Similar Compounds

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

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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