Chemical Properties of 1-Heptanamine, N,N-diheptyl- (CAS 2411-36-1)

InChI

InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3

InChI Key

CLZGJKHEVKJLLS-UHFFFAOYSA-N

Formula

C21H45N

SMILES

CCCCCCCN(CCCCCCC)CCCCCCC

Molecular Weight¹

311.59

CAS

2411-36-1

Other Names

• Triheptylamine
• tri-n-Heptylamine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8885		Relay (1.0) Calculated Property
ΔfG°	236.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.17	kJ/mol	Joback Calculated Property
ΔvapH°	94.17	kJ/mol	Relay (1.0) Calculated Property
IE	7.67	eV	Relay (1.0) Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	7.200		Crippen Calculated Property
McVol	316.730	ml/mol	McGowan Calculated Property
Pc	954.96	kPa	Joback Calculated Property
Inp	[2012.00; 2012.00]
Inp	2012.00		NIST
Inp	2012.00		NIST
Tboil	603.15 ± 4.00	K	NIST
Tc	753.56	K	Relay (1.0) Calculated Property
Tfus	247.81	K	Relay (1.0) Calculated Property
Vc	1.232	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[944.23; 1060.49]	J/mol×K	[692.32; 854.82]
Cp,gas	944.23	J/mol×K	692.32	Joback Calculated Property
Cp,gas	965.83	J/mol×K	719.40	Joback Calculated Property
Cp,gas	986.49	J/mol×K	746.49	Joback Calculated Property
Cp,gas	1006.26	J/mol×K	773.57	Joback Calculated Property
Cp,gas	1025.16	J/mol×K	800.65	Joback Calculated Property
Cp,gas	1043.22	J/mol×K	827.74	Joback Calculated Property
Cp,gas	1060.49	J/mol×K	854.82	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[464.52; 636.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57300e+01
Coefficient B			-5.49279e+03
Coefficient C			-1.08826e+02
Temperature range, min.			464.52
Temperature range, max.			636.04
Pvap	1.33	kPa	464.52	Calculated Property
Pvap	2.92	kPa	483.58	Calculated Property
Pvap	5.94	kPa	502.64	Calculated Property
Pvap	11.31	kPa	521.69	Calculated Property
Pvap	20.35	kPa	540.75	Calculated Property
Pvap	34.83	kPa	559.81	Calculated Property
Pvap	57.07	kPa	578.87	Calculated Property
Pvap	89.98	kPa	597.92	Calculated Property
Pvap	137.11	kPa	616.98	Calculated Property
Pvap	202.66	kPa	636.04	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptanamine, N,N-diheptyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.