Chemical Properties of Heptane, 3,3,5-trimethyl- (CAS 7154-80-5)

InChI

InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3

InChI Key

VRVRZZWPKABUOE-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCC(C)CC(C)(C)CC

Molecular Weight¹

142.28

CAS

7154-80-5

Other Names

• 3,3,5-Trimethylheptane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• 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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.3820		KDB
AP	343.150	K	KDB
ΔfG°	33.58	kJ/mol	KDB
Δc,grossH	6775.90	kJ/mol	KDB
Δc,netH	6291.816	kJ/mol	KDB
ΔfH°gas	-258.70	kJ/mol	KDB
ΔfusH°	10.72	kJ/mol	Joback Calculated Property
ΔvapH°	46.00	kJ/mol	NIST
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	[2317.00; 2320.00]	kPa
Pc	2320.00	kPa	KDB
Pc	2320.00 ± 40.00	kPa	NIST
Pc	2317.00 ± 20.00	kPa	NIST
Inp	[906.00; 913.20]
Inp	908.00		NIST
Inp	907.70		NIST
Inp	907.70		NIST
Inp	908.00		NIST
Inp	911.00		NIST
Inp	906.00		NIST
Inp	913.20		NIST
Inp	909.00		NIST
Inp	913.00		NIST
Inp	913.00		NIST
Inp	913.00		NIST
Inp	908.00		NIST
Inp	908.00		NIST
Inp	913.00		NIST
Inp	908.00		NIST
Inp	913.00		NIST
Inp	913.20		NIST
Tboil	[428.80; 434.70]	K
Tboil	428.80	K	KDB
Tboil	428.80 ± 0.30	K	NIST
Tboil	434.70 ± 1.50	K	NIST
Tboil	428.83 ± 0.30	K	NIST
Tc	[609.50; 609.55]	K
Tc	609.50	K	KDB
Tc	609.50 ± 0.50	K	NIST
Tc	609.55 ± 0.15	K	NIST
Tfus	219.00	K	KDB
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.93; 407.85]	J/mol×K	[424.53; 600.93]
Cp,gas	316.93	J/mol×K	424.53	Joback Calculated Property
Cp,gas	333.94	J/mol×K	453.93	Joback Calculated Property
Cp,gas	350.18	J/mol×K	483.33	Joback Calculated Property
Cp,gas	365.66	J/mol×K	512.73	Joback Calculated Property
Cp,gas	380.41	J/mol×K	542.13	Joback Calculated Property
Cp,gas	394.47	J/mol×K	571.53	Joback Calculated Property
Cp,gas	407.85	J/mol×K	600.93	Joback Calculated Property
η	[0.0002394; 0.0206027]	Pa×s	[189.88; 424.53]
η	0.0206027	Pa×s	189.88	Joback Calculated Property
η	0.0052013	Pa×s	228.99	Joback Calculated Property
η	0.0019620	Pa×s	268.10	Joback Calculated Property
η	0.0009486	Pa×s	307.20	Joback Calculated Property
η	0.0005405	Pa×s	346.31	Joback Calculated Property
η	0.0003452	Pa×s	385.42	Joback Calculated Property
η	0.0002394	Pa×s	424.53	Joback Calculated Property
ΔvapH	36.65	kJ/mol	428.90	KDB
n0	1.41470		298.15	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[313.33; 457.74]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42396e+01
Coefficient B			-3.58051e+03
Coefficient C			-5.67030e+01
Temperature range, min.			313.33
Temperature range, max.			457.74
Pvap	1.33	kPa	313.33	Calculated Property
Pvap	3.03	kPa	329.38	Calculated Property
Pvap	6.28	kPa	345.42	Calculated Property
Pvap	12.07	kPa	361.47	Calculated Property
Pvap	21.73	kPa	377.51	Calculated Property
Pvap	36.98	kPa	393.56	Calculated Property
Pvap	59.96	kPa	409.60	Calculated Property
Pvap	93.21	kPa	425.65	Calculated Property
Pvap	139.68	kPa	441.69	Calculated Property
Pvap	202.64	kPa	457.74	Calculated Property
Pvap	[1.35; 2332.16]	kPa	[313.00; 609.50]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.70461e+01
Coefficient B			-8.69026e+03
Coefficient C			-1.21313e+01
Coefficient D			7.43061e-06
Temperature range, min.			313.00
Temperature range, max.			609.50
Pvap	1.35	kPa	313.00	Calculated Property
Pvap	6.63	kPa	345.94	Calculated Property
Pvap	23.33	kPa	378.89	Calculated Property
Pvap	64.51	kPa	411.83	Calculated Property
Pvap	149.29	kPa	444.78	Calculated Property
Pvap	302.55	kPa	477.72	Calculated Property
Pvap	554.87	kPa	510.67	Calculated Property
Pvap	943.62	kPa	543.61	Calculated Property
Pvap	1515.66	kPa	576.56	Calculated Property
Pvap	2332.16	kPa	609.50	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3,3,5-trimethyl-.

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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