Chemical Properties of 3-Ethyl-3-heptanol (CAS 19780-41-7)

InChI

InChI=1S/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3

InChI Key

XKRZDNKKANUBPV-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCC(O)(CC)CC

Molecular Weight¹

144.25

CAS

19780-41-7

Other Names

• 3-Heptanol, 3-ethyl-
• 3-ethylheptan-3-ol

• 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°	-109.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-390.07	kJ/mol	Joback Calculated Property
ΔfusH°	15.74	kJ/mol	Joback Calculated Property
ΔvapH°	51.01	kJ/mol	Joback Calculated Property
log10WS	-2.97		Crippen Calculated Property
logPoct/wat	2.728		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2574.11	kPa	Joback Calculated Property
Inp	[853.00; 853.00]
Inp	853.00		NIST
Inp	853.00		NIST
Tboil	494.27	K	Joback Calculated Property
Tc	662.00	K	Joback Calculated Property
Tfus	254.43	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.27; 408.65]	J/mol×K	[494.27; 662.00]
Cp,gas	337.27	J/mol×K	494.27	Joback Calculated Property
Cp,gas	350.61	J/mol×K	522.22	Joback Calculated Property
Cp,gas	363.35	J/mol×K	550.18	Joback Calculated Property
Cp,gas	375.49	J/mol×K	578.13	Joback Calculated Property
Cp,gas	387.08	J/mol×K	606.09	Joback Calculated Property
Cp,gas	398.12	J/mol×K	634.04	Joback Calculated Property
Cp,gas	408.65	J/mol×K	662.00	Joback Calculated Property
η	[0.0001471; 0.0562745]	Pa×s	[254.43; 494.27]
η	0.0562745	Pa×s	254.43	Joback Calculated Property
η	0.0106579	Pa×s	294.40	Joback Calculated Property
η	0.0030048	Pa×s	334.38	Joback Calculated Property
η	0.0011101	Pa×s	374.35	Joback Calculated Property
η	0.0004970	Pa×s	414.32	Joback Calculated Property
η	0.0002563	Pa×s	454.30	Joback Calculated Property
η	0.0001471	Pa×s	494.27	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[351.28; 493.65]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53171e+01
Coefficient B			-4.26150e+03
Coefficient C			-6.77370e+01
Temperature range, min.			351.28
Temperature range, max.			493.65
Pvap	1.33	kPa	351.28	Calculated Property
Pvap	2.95	kPa	367.10	Calculated Property
Pvap	6.03	kPa	382.92	Calculated Property
Pvap	11.50	kPa	398.74	Calculated Property
Pvap	20.69	kPa	414.56	Calculated Property
Pvap	35.36	kPa	430.37	Calculated Property
Pvap	57.79	kPa	446.19	Calculated Property
Pvap	90.80	kPa	462.01	Calculated Property
Pvap	137.77	kPa	477.83	Calculated Property
Pvap	202.66	kPa	493.65	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethyl-3-heptanol.

Sources

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

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